Nanatinostat (Synonyms: CHR-3996)

Name: Nanatinostat
Brand: MedChemExpress
SKU: HY-13432
Rating: 5.0 (2 reviews)

Cat. No.: HY-13432 Purity: 99.34%: Data Sheet
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Nanatinostat (CHR-3996) is a potent, class I selective and orally active HDAC inhibitor with IC₅₀s of 3 nM, 4 nM, and 7 nM for HDAC1, HDAC2, and HDAC3, respectively. Nanatinostat has low activity against HDAC5 (IC₅₀ of 200 nM) and HDAC6 (IC₅₀ of 2100 nM). Nanatinostat induces apoptosis in myeloma cells. Nanatinostat has potent anticancer effects, such as myeloma, advanced solid tumours and colorectal cancer.

For research use only. We do not sell to patients.

Nanatinostat Chemical Structure

CAS No. : 1256448-47-1

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
500 mg	Get quote

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Customer Review

Based on 2 publication(s) in Google Scholar

Other Forms of Nanatinostat:

(Rac)-Nanatinostat Get quote
Nanatinostat TFA Get quote

2 Publications Citing Use of MCE Nanatinostat

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•Related Screening Libraries:

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View All HDAC Isoform Specific Products:

View All Isoforms

HDAC HDAC1 HDAC2 HDAC3 HDAC4 HDAC5 HDAC6 HDAC7 HDAC8 HDAC9 HDAC10 HDAC11 HD1 HD2

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

HDAC1

3 nM (IC₅₀)

HDAC2

4 nM (IC₅₀)

HDAC3

7 nM (IC₅₀)

HDAC

8 nM (IC₅₀)

HDAC5

200 nM (IC₅₀)

HDAC6

2100 nM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
A2780	GI₅₀	210 nM Compound: 21r, CHR-3996	Antiproliferative activity against human A2780 cells after 72 hrs by WST-1 assay Antiproliferative activity against human A2780 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
A549	GI₅₀	250 nM Compound: 21r, CHR-3996	Antiproliferative activity against human A549 cells after 72 hrs by WST-1 assay Antiproliferative activity against human A549 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
COR-L23	GI₅₀	105 nM Compound: 21r, CHR-3996	Antiproliferative activity against human COR-L23 cells after 72 hrs by WST-1 assay Antiproliferative activity against human COR-L23 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
COR-L23	GI₅₀	560 nM Compound: 21r, CHR-3996	Antiproliferative activity against doxorubicin-resistant human COR-L23 cells after 72 hrs by WST-1 assay Antiproliferative activity against doxorubicin-resistant human COR-L23 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
DU-145	GI₅₀	48 nM Compound: 21r, CHR-3996	Antiproliferative activity against human DU145 cells after 72 hrs by WST-1 assay Antiproliferative activity against human DU145 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
HCT-116	GI₅₀	72 nM Compound: 21r, CHR-3996	Antiproliferative activity against human HCT116 cells after 72 hrs by WST-1 assay Antiproliferative activity against human HCT116 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
HeLa	IC₅₀	8 nM Compound: 21r, CHR-3996	Inhibition of HDAC in human HeLa cells nuclear extract using fluor de Lys as substrate preincubated for 5 mins by fluorometric analysis Inhibition of HDAC in human HeLa cells nuclear extract using fluor de Lys as substrate preincubated for 5 mins by fluorometric analysis	[PMID: 21080647]
HepG2	GI₅₀	230 nM Compound: 21r, CHR-3996	Antiproliferative activity against human HepG2 cells after 72 hrs by WST-1 assay Antiproliferative activity against human HepG2 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
HuT78	GI₅₀	31 nM Compound: 21r, CHR-3996	Antiproliferative activity against human HUT78 cells after 72 hrs by WST-1 assay Antiproliferative activity against human HUT78 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
LoVo	GI₅₀	140 nM Compound: 21r, CHR-3996	Antiproliferative activity against human LoVo cells after 72 hrs by WST-1 assay Antiproliferative activity against human LoVo cells after 72 hrs by WST-1 assay	[PMID: 21080647]
MG-63	GI₅₀	750 nM Compound: 21r, CHR-3996	Antiproliferative activity against human MG63 cells after 72 hrs by WST-1 assay Antiproliferative activity against human MG63 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
MIA PaCa-2	GI₅₀	280 nM Compound: 21r, CHR-3996	Antiproliferative activity against human MIAPaCa2 cells after 72 hrs by WST-1 assay Antiproliferative activity against human MIAPaCa2 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
MOLT-4	GI₅₀	31 nM Compound: 21r, CHR-3996	Antiproliferative activity against human MOLT4 cells after 72 hrs by WST-1 assay Antiproliferative activity against human MOLT4 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
PC-3	GI₅₀	160 nM Compound: 21r, CHR-3996	Antiproliferative activity against human PC3 cells after 72 hrs by WST-1 assay Antiproliferative activity against human PC3 cells after 72 hrs by WST-1 assay	[PMID: 21080647]
U-937	GI₅₀	52 nM Compound: 21r, CHR-3996	Antiproliferative activity against human U937 cells after 72 hrs by WST-1 assay Antiproliferative activity against human U937 cells after 72 hrs by WST-1 assay	[PMID: 21080647]

In Vitro

Nanatinostat (CHR-3996) (0.0001-1 μM; 48 hours) inhibits the proliferation of myeloma cell lines, with LC₅₀ values ranging from 30.3-97.6 nM in different cell lines^[2].
Nanatinostat (250-100 nM; 8-48 hours) induces apoptosis and increases the level of acetylated H3K9 in H929 and RPMI-8226 myeloma cell lines^[2].
Nanatinostat (0-200 nM; 24 hours) reduces the levels of IL-6 and VEGF secreted by bone marrow stromal cells in the co-culture system of bone marrow stromal cells and myeloma cells^[2].
Nanatinostat (250 nM and 100 nM; 48 hours) arrests the cell cycle at the G0/G1 phase in H929 and RPMI-8226 myeloma cell lines^[2].

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

Cell Viability Assay^[2]

Cell Line:	H929, RPMI-8226, KMS11, LP-1, MM1-S cells
Concentration:	0.0001 μM, 0.001 μM, 0.01 μM, 0.1 μM, 1 μM
Incubation Time:	48 hours
Result:	The cell viability decreased.

Apoptosis Analysis^[2]

Cell Line:	H929 and RPMI-8226 myeloma cell lines
Concentration:	100 nM (RPMI-8226 cells), 250 nM (H929 cells)
Incubation Time:	8 hours, 24 hours, 48 hours
Result:	The percentage of apoptotic cells increased, with an increase in both early and late apoptotic cells.

Cell Cycle Analysis^[2]

Cell Line:	H929 and RPMI-8226 myeloma cell lines
Concentration:	100 nM (RPMI-8226 cells), 250 nM (H929 cells)
Incubation Time:	48 hours
Result:	The cell cycle was arrested at the G0/G1 phase.

Western Blot Analysis^[2]

Cell Line:	H929 and RPMI-8226 myeloma cell lines
Concentration:	100 nM (RPMI-8226 cells), 250 nM (H929 cells)
Incubation Time:	8 hours, 24 hours, 48 hours
Result:	The pro-apoptotic DNase Endonuclease G and p53 downstream mediator Noxa were up-regulated, and caspase 9 was cleaved.

In Vivo

Nanatinostat (50 mg/kg; orally administered; once daily; for 14 days) can almost completely inhibit tumor growth in the female CrTac:NCr-Fox1ν mouse HCT116 tumor xenograft model^[1].
Nanatinostat (25-50 mg/kg; orally administered; once daily; for 19 days) can significantly reduce tumor volume in a dose-dependent manner in the female BALB/c nude mouse LoVo human colon xenograft model^[1].
Nanatinostat (30 mg/kg; orally administered; once daily; for 28 days) can effectively inhibit tumor growth in the NOD/SCID IL2R gamma^null mouse myeloma model^[2].

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

Animal Model:	Female CrTac:NCr-Fox1(nu) mice (6-8 weeks old; inoculated bilaterally sc with 2 million human HCT116 colon carcinoma cells)^[1].
Dosage:	50 mg/kg
Administration:	Orally administered, once daily, for 14 days
Result:	Almost completely suppressed tumor growth, and the tumor concentration was high, with a tumor-to-plasma concentration ratio reflecting good distribution to the tumor.

Animal Model:	Female BALB/c nude mice (inoculated with LoVo human colorectal xenograft)^[1].
Dosage:	25 mg/kg and 50 mg/kg
Administration:	Orally administered, once daily, for 19 days
Result:	Significantly reduced tumor volume, and the effect was dose-dependent.

Animal Model:	NOD/SCID IL2R gamma^null mice (inoculated subcutaneously with 2×10⁶ H929 myeloma cells)^[2].
Dosage:	30 mg/kg
Administration:	Orally administered, once daily, for up to 28 days
Result:	Effectively inhibited tumor growth.

Clinical Trial

Molecular Weight

394.40

Synonyms

CHR-3996

Formula

C₂₀H₁₉FN₆O₂

CAS No.

1256448-47-1

Appearance

Solid

Color

White to off-white

SMILES

FC(C=C1)=CC(C=C2)=C1N=C2CN[C@H]3[C@@]4([H])[C@]3([H])CN(C5=NC=C(C(NO)=O)C=N5)C4

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

-20°C, stored under nitrogen

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (126.77 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.5355 mL	12.6775 mL	25.3550 mL
5 mM	0.5071 mL	2.5355 mL	5.0710 mL
10 mM	0.2535 mL	1.2677 mL	2.5355 mL

View the Complete Stock Solution Preparation Table

* 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, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

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

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: ≥ 2.5 mg/mL (6.34 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: 2.5 mg/mL (6.34 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.34%

Select Batch:

Data Sheet (279 KB) SDS (252 KB)

COA (246 KB) HNMR (267 KB) LCMS (98 KB)

Handling Instructions (2659 KB)

References

[1]. Moffat D, et al. Discovery of 2-(6-{[(6-fluoroquinolin-2-yl)methyl]amino}bicyclo[3.1.0]hex-3-yl)-N-hydroxypyrimidine-5-carboxamide (CHR-3996), a class I selective orally active histone deacetylase inhibitor. J Med Chem. 2010 Dec 23;53(24):8663-78. [Content Brief]

[2]. Smith EM, et al. The combination of HDAC and aminopeptidase inhibitors is highly synergistic in myeloma and leads to disruption of the NFκB signalling pathway. Oncotarget. 2015 Jul 10;6(19):17314-27. [Content Brief]

[3]. Banerji U, et al. A phase I pharmacokinetic and pharmacodynamic study of CHR-3996, an oral class I selective histone deacetylase inhibitor in refractory solid tumors. Clin Cancer Res. 2012 May 1;18(9):2687-94. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.5355 mL	12.6775 mL	25.3550 mL	63.3874 mL
	5 mM	0.5071 mL	2.5355 mL	5.0710 mL	12.6775 mL
	10 mM	0.2535 mL	1.2677 mL	2.5355 mL	6.3387 mL
	15 mM	0.1690 mL	0.8452 mL	1.6903 mL	4.2258 mL
	20 mM	0.1268 mL	0.6339 mL	1.2677 mL	3.1694 mL
	25 mM	0.1014 mL	0.5071 mL	1.0142 mL	2.5355 mL
	30 mM	0.0845 mL	0.4226 mL	0.8452 mL	2.1129 mL
	40 mM	0.0634 mL	0.3169 mL	0.6339 mL	1.5847 mL
	50 mM	0.0507 mL	0.2535 mL	0.5071 mL	1.2677 mL
	60 mM	0.0423 mL	0.2113 mL	0.4226 mL	1.0565 mL
	80 mM	0.0317 mL	0.1585 mL	0.3169 mL	0.7923 mL
	100 mM	0.0254 mL	0.1268 mL	0.2535 mL	0.6339 mL

Nanatinostat Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Nanatinostat1256448-47-1CHR-3996CHR3996CHR 3996HDACApoptosisHistone deacetylasesHDAC1HDAC2HDAC3apoptosis myelomaadvanced solid tumours and colorectal cancerInhibitorinhibitorinhibit

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Nanatinostat (Synonyms: CHR-3996)

Customer Review

Other Forms of Nanatinostat:

Nanatinostat Related Antibodies

2 Publications Citing Use of MCE Nanatinostat

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•Related Screening Libraries:

•Related Small Molecules:

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View All HDAC Isoform Specific Products:

Biological Activity

Purity & Documentation

References

Customer Review

Nanatinostat Related Antibodies

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Complete Stock Solution Preparation Table

Nanatinostat Related Classifications

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