Cat. No.: HY-100885

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Acelarin

(Synonyms: NUC-1031)

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Acelarin (NUC-1031) is a ProTide transformation and enhancement of the widely-used nucleoside analogue, gemcitabine.

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Pureté: 99.13%
CAS No.: 840506-29-8
Formule: C₂₅H₂₇F₂N₄O₈P
Masse moléculaire:580.47

Stockage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

Acelarin Chemical Structure

CAS No.: 840506-29-8

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Activité biologique
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
- Essai clinique
Chemical Information
Publications (1)
Solvant et solubilité
- In Vitro
- In Vivo
Protocole
Pureté et documentation
Références
Help & FAQs
Classifications
Bioz

Activité biologique

Description

Acelarin (NUC-1031) is a ProTide transformation and enhancement of the widely-used nucleoside analogue, gemcitabine.

IC₅₀ & Target

EC50：0.2 nM (DNA synthesis inhibitor)^[1]

Voir tous les produits spécifiques à Isoform DNA/RNA Synthesis :

Cellular Effect

Cell Line	Type	Value	Description	References
A2780	IC₅₀	0.27 μM Compound: NUC1031	Cytotoxicity against human A2780 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human A2780 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
BXPC-3	IC₅₀	0.15 μM Compound: 6f, NUC-1031	Cytostatic activity against human BxPC3 cells after 72 hrs by MTS assay Cytostatic activity against human BxPC3 cells after 72 hrs by MTS assay	[PMID: 24471998]
BXPC-3	IC₅₀	0.33 μM Compound: NUC1031	Cytotoxicity against human BXPC-3 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human BXPC-3 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
BXPC-3	IC₅₀	230.1 nM Compound: NUC-1031	Antiproliferative activity against human BXPC-3 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human BXPC-3 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
CCRF-CEM	IC₅₀	0.1 μM Compound: 6f, NUC-1031	Cytostatic activity against human CEM cells after 72 hrs by coulter counter analysis Cytostatic activity against human CEM cells after 72 hrs by coulter counter analysis	[PMID: 24471998]
COLO 205	IC₅₀	1.82 μM Compound: NUC1031	Cytotoxicity against human COLO 205 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human COLO 205 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
CWR22R	IC₅₀	130.1 nM Compound: NUC-1031	Antiproliferative activity against human 22Rv1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human 22Rv1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
HEL	CC₅₀	0.34 μM Compound: 2c	Cytotoxicity against human HEL cells assessed as reduce in cell growth incubated for 3 days by coulter counter analysis Cytotoxicity against human HEL cells assessed as reduce in cell growth incubated for 3 days by coulter counter analysis	[PMID: 33479570]
HepG2	IC₅₀	1.16 μM Compound: NUC1031	Cytotoxicity against human HepG2 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human HepG2 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
HT-29	IC₅₀	0.48 μM Compound: NUC1031	Cytotoxicity against human HT-29 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human HT-29 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
Huh-7	IC₅₀	350.3 nM Compound: NUC-1031	Antiproliferative activity against human Huh-7 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human Huh-7 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
JeKo-1	IC₅₀	160.1 nM Compound: NUC-1031	Antiproliferative activity against human JeKo-1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human JeKo-1 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
L1210	IC₅₀	0.035 μM Compound: 6f, NUC-1031	Cytostatic activity against mouse L1210 cells after 48 hrs by coulter counter analysis Cytostatic activity against mouse L1210 cells after 48 hrs by coulter counter analysis	[PMID: 24471998]
MDA-MB-231	IC₅₀	1 μM Compound: NUC1031	Cytotoxicity against human MDA-MB-231 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human MDA-MB-231 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
MIA PaCa-2	IC₅₀	0.12 μM Compound: NUC1031	Cytotoxicity against human MIA PaCa-2 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human MIA PaCa-2 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
MIA PaCa-2	IC₅₀	0.44 μM Compound: 6f, NUC-1031	Cytostatic activity against human MIAPaCa2 cells after 72 hrs by MTS assay Cytostatic activity against human MIAPaCa2 cells after 72 hrs by MTS assay	[PMID: 24471998]
MIA PaCa-2	IC₅₀	142.2 nM Compound: NUC-1031	Antiproliferative activity against human MIA PaCa-2 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human MIA PaCa-2 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
MM1.S	IC₅₀	31.1 nM Compound: NUC-1031	Antiproliferative activity against human MM1.S cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human MM1.S cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
MV4-11	IC₅₀	61 nM Compound: NUC-1031	Antiproliferative activity against human MV4-11 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay Antiproliferative activity against human MV4-11 cells assessed as inhibition of cell proliferation treated for 72 hrs by resazurin dye-based fluorescence assay	[PMID: 36867101]
OVCAR-3	IC₅₀	119.05 μM Compound: NUC1031	Cytotoxicity against human OVCAR-3 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human OVCAR-3 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
PANC-1	EC₅₀	162 μM Compound: 6f, NUC-1031	Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in presence of hENT1 inhibitor dipyridamole Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in presence of hENT1 inhibitor dipyridamole	[PMID: 24471998]
PANC-1	EC₅₀	190 μM Compound: 6f, NUC-1031	Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in absence of hENT1 inhibitor dipyridamole Cytotoxicity against human PANC1 cells assessed as cell viability by MTT assay in absence of hENT1 inhibitor dipyridamole	[PMID: 24471998]
PANC-1	IC₅₀	3.96 μM Compound: NUC1031	Cytotoxicity against human PANC-1 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human PANC-1 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
PC-3	IC₅₀	1.09 μM Compound: NUC1031	Cytotoxicity against human PC-3 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human PC-3 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
RT-112	EC₅₀	0.2 nM Compound: 6f, NUC-1031	Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in absence of dCK substrate deoxycytidine Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in absence of dCK substrate deoxycytidine	[PMID: 24471998]
RT-112	EC₅₀	0.7 nM Compound: 6f, NUC-1031	Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in presence of dCK substrate deoxycytidine Cytotoxicity against human RT112 cells assessed as cell viability by MTT assay in presence of dCK substrate deoxycytidine	[PMID: 24471998]
SK-MES-1	IC₅₀	0.11 μM Compound: NUC1031	Cytotoxicity against human SK-MES-1 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay Cytotoxicity against human SK-MES-1 cells assessed as inhibition of cell viability incubated for 72 hrs by MTS assay	[PMID: 38547648]
Vero	CC₅₀	0.02 μM Compound: 2c	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell growth by coulter counter analysis Cytotoxicity against African green monkey Vero cells assessed as reduction in cell growth by coulter counter analysis	[PMID: 33479570]

In Vitro

Gemcitabine is a nucleoside analogue commonly used in cancer therapy but with limited efficacy due to a high susceptibility to cancer cell resistance. The addition of a phosphoramidate motif to the gemcitabine can protect it against many of the key cancer resistance mechanisms. A series of gemcitabine phosphoramidate prodrugs are synthesized and screened for cytostatic activity in a range of different tumor cell lines. Among the synthesized compounds, NUC-1031 is shown to be potent in vitro.

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The ProTide demonstrates a significant reduction in tumor size against pancreatic xenograft models compared with the gemcitabine treated group, and less adverse effects on body weight, indicating a better safety profile. Data strongly suggests that the ProTides are not reliant on kinases or nucleoside transporters to exert their activity inside tumor cells and remain stable in the presence of deaminases. The ProTide NUC-1031 is currently advancing through phase I/II clinical studies and has already generated strong pharmacokinetic data that confirm significantly higher intracellular levels of gemcitabine triphosphate, together with promising early efficacy signals and a favorable safety profile. The phosphoramidate chemistry is potentially a great source of new and very effective anticancer agents, bringing a considerable array of advanced treatments specifically designed to overcome cancer resistance mechanisms that will benefit a greater proportion of patients^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Essai clinique

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS No. 840506-29-8
Appearance Solid
Masse moléculaire 580.47
Formule C₂₅H₂₇F₂N₄O₈P
Color White to off-white
SMILES

O=C1N=C(N)C=CN1[C@@H]2O[C@H](COP(OC3=CC=CC=C3)(N[C@H](C(OCC4=CC=CC=C4)=O)C)=O)[C@@H](O)C2(F)F
Synonyms

NUC-1031
Livraison

Room temperature in continental US; may vary elsewhere.

Stockage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Publications (1)

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Journal Impact Factor

Cancer Chemother Pharmacol

Evaluation of NUC-1031: a first-in-class ProTide in biliary tract cancer. [Abstract]

2020 Jun;85(6):1063-1078. PMID: 32440762

Solvant et solubilité

In Vitro:

DMSO : ≥ 36 mg/mL (62.02 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

* "≥" means soluble, but saturation unknown.

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

1.7227 mL

8.6137 mL

17.2274 mL

5 mM

0.3445 mL

1.7227 mL

3.4455 mL

10 mM

0.1723 mL

0.8614 mL

1.7227 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Calculateur de molarité

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Calculateur de dilution

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.08 mg/mL (3.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.08 mg/mL (3.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.08 mg/mL (3.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Protocole

Cell Assay^[1]

NUC-1031(5.0 mg) is dissolved in DMSO (0.050 mL) and D₂O (0.15 mL). After recording the control ³¹P NMR at 37 °C, a previously defrosted human, rat, or dog serum (0.30 mL) is added to the sample, which is next submitted to the ³¹P NMR experiments at 37°C. The spectra are recorded every 30 min over 13 h. ³¹P NMR recorded data are processed and analyzed with the Bruker Topspin 2.1 program^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Administration^[1]

Balb/c nude mice are female, six to eight week old, with the weight of 20 ± 2 g. They are intraperitoneally given NUC-1031 (i.p 0.228 mmol/kg, 132.3 mg/kg, 2×/WK) or vehicle for 2 weeks. NUC-1031 is dissolved in 40% Captisol solution. (40% Captisol is prepared by dissolving 20mg of Captisol with pure water, and made the final volume 50 mL. The solvent is filtered with 0.22 μm filter). Mice are monitored daily for body weight change and clinical symptoms for 2 weeks^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Pureté et documentation

Select Batch:

Pureté: 99.98%

Assay: 99.98%

ee.: 99.98%

Fiche technique (283 KB)
SDS (396 KB)
- English - EN (396 KB)
- Français - FR (396 KB)
- Deutsch - DE (396 KB)
- Norwegian - NO (396 KB)
- Español - ES (396 KB)
- Swedish - SV (396 KB)
- Italian - IT (396 KB)
- Korean - KR (396 KB)
- Portuguese - PT (396 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Instruction de manipulation (2659 KB)

Références

[1]. Slusarczyk M, et al. Application of ProTide technology to gemcitabine: a successful approach to overcome the key cancer resistance mechanisms leads to a new agent (NUC-1031) in clinical development. J Med Chem. 2014 Feb 27;57(4):1531-42. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.7227 mL	8.6137 mL	17.2274 mL	43.0686 mL
	5 mM	0.3445 mL	1.7227 mL	3.4455 mL	8.6137 mL
	10 mM	0.1723 mL	0.8614 mL	1.7227 mL	4.3069 mL
	15 mM	0.1148 mL	0.5742 mL	1.1485 mL	2.8712 mL
	20 mM	0.0861 mL	0.4307 mL	0.8614 mL	2.1534 mL
	25 mM	0.0689 mL	0.3445 mL	0.6891 mL	1.7227 mL
	30 mM	0.0574 mL	0.2871 mL	0.5742 mL	1.4356 mL
	40 mM	0.0431 mL	0.2153 mL	0.4307 mL	1.0767 mL
	50 mM	0.0345 mL	0.1723 mL	0.3445 mL	0.8614 mL
	60 mM	0.0287 mL	0.1436 mL	0.2871 mL	0.7178 mL

Keywords

Acelarin

1 Cited Publications

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Acelarin

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Publications Citing Use of MedChemExpress (MCE) Acelarin

Voir tous les produits spécifiques à Isoform DNA/RNA Synthesis

Activité biologique

Chemical Information

Publications (1)

Solvant et solubilité

Protocole

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

Acelarin

Cell Cycle/DNA Damage Compound Library

Anti-Cancer Compound Library

Clinical Compound Library

Anti-Aging Compound Library

Drug Repurposing Compound Library

Covalent Screening Library

Anti-COVID-19 Compound Library

Anti-Pancreatic Cancer Compound Library

Heterocyclic Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Covalent Screening Library Plus

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) Acelarin

Voir tous les produits spécifiques à Isoform DNA/RNA Synthesis

Activité biologique

Chemical Information

Publications (1)

Solvant et solubilité

Protocole

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

Acelarin Related Classifications

HY-100885 Related Classifications