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Cat. No.: HY-149927

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Antitumor agent-91

Antitumor agent-91 is a cyclic phosphate ester derivative with anticancer and anti-proliferative activities. Antitumor agent-91 has potential application in human castration resistant prostate cancer and pancreatic cancer.

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

CAS No.: 3035360-70-1
Formula: C₁₈H₁₈F₂N₃O₈P
Molecular Weight:473.32

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (269 KB)

Antitumor agent-91 Chemical Structure

CAS No.: 3035360-70-1

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

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

Biological Activity
- Description
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

Cellular Effect

Cell Line	Type	Value	Description	References
BXPC-3	IC₅₀	16.5 nM Compound: 18c	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]
CWR22R	IC₅₀	10.6 nM Compound: 18c	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]
Huh-7	IC₅₀	16.2 nM Compound: 18c	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	19.2 nM Compound: 18c	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]
MIA PaCa-2	IC₅₀	12.5 nM Compound: 18c	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	3.6 nM Compound: 18c	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	5.4 nM Compound: 18c	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]

In Vitro

Antitumor agent-91 (Compound 18c) has anti-tumor activity against MM1. S, BxPC-3, MP-2, 22Rv1, MV4-11, Jeko-1 and HUH7 cells with IC₅₀ values of 3.6 nM, 16.5 nM, 12.5 nM, 10.6 nM, 5.4 nM, 19.2 nM and 16.2 nM, respectively^[1].

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

Western Blot Analysis^[1]

Cell Line:

BxPC-3 cells.
Concentration:

25 nM, 50 nM and 100 nM.
Incubation Time:

24 h.
Result:

Increased the expression of P21.

Cell Cycle Analysis^[1]

Cell Line:

BxPC-3 cells.
Concentration:

25 nM, 50 nM and 100 nM.
Incubation Time:

24 h.
Result:

Induced cell S phase arrest.

In Vivo

Antitumor agent-91 (Compound 18c) (50 mg/kg; i.p.; twice a week for four weeks) significantly inhibits tumor growth in a castrated male Balb/c nude mouse model implanted with 22Rv1 tumor^[1].
Pharmacokinetic (PK) parameters of Antitumor agent-91 in Beagle Dogs^[1]

Route	Dose (mg/kg)	AUC_0-∞ (h•ng/mL)	T_1/2 (h)	CL (mL/h/kg)	C_max (ng/mL)
Intravenous injection	1	520.24±79.49	0.12±0.046	1952±295	3600.3±325.59

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

Chemical Information

CAS No. 3035360-70-1
Molecular Weight 473.32
Formula C₁₈H₁₈F₂N₃O₈P
SMILES

O=C(COP1(O[C@@H](C(F)(F)[C@H](N2C=CC(N)=NC2=O)O3)[C@H]3CO1)=O)OCC4=CC=CC=C4
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (269 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)
Handling Instructions (2659 KB)

References

[1]. Zhang L, et al. Design, Synthesis, and Anti-Cancer Evaluation of Novel Cyclic Phosphate Prodrug of Gemcitabine. J Med Chem. 2023 Mar 23;66(6):4150-4166. [Content Brief]

Calculators

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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.

Keywords

100 mg

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