AGI-6780
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MedKoo CAT#: 406493

CAS#: 1432660-47-3

Description: AGI-6780 is a potent and selective IDH2 inhibitor. AGI-6780 inhibits the tumor-associated mutant IDH2/R140Q. Treatment with AGI-6780 induced differentiation of TF-1 erythroleukemia and primary human acute myelogenous leukemia cells in vitro. Inhibitors targeting mutant IDH2/R140Q could have potential applications as a differentiation therapy for cancer.


Chemical Structure

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AGI-6780
CAS# 1432660-47-3

Theoretical Analysis

MedKoo Cat#: 406493
Name: AGI-6780
CAS#: 1432660-47-3
Chemical Formula: C21H18F3N3O3S2
Exact Mass: 481.07417
Molecular Weight: 481.51113
Elemental Analysis: C, 52.38; H, 3.77; F, 11.84; N, 8.73; O, 9.97; S, 13.32

Price and Availability

Size Price Availability Quantity
10.0mg USD 90.0 Same Day
25.0mg USD 150.0 Same Day
50.0mg USD 250.0 Same Day
100.0mg USD 550.0 Same Day
200.0mg USD 950.0 Same Day
500.0mg USD 1650.0 Same Day
1.0g USD 2650.0 2 Weeks
2.0g USD 4650.0 2 Weeks
5.0g USD 6950.0 2 Weeks
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Synonym: AGI6780; AGI 6780; AGI-6780.

IUPAC/Chemical Name: N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonamide

InChi Key: CCAWRGNYALGPQH-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)

SMILES Code: O=S(C1=CC=C(C2=CSC=C2)C(NC(NC3=CC=CC(C(F)(F)F)=C3)=O)=C1)(NC4CC4)=O

Appearance: white solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 481.51113 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Kim J, DeBerardinis RJ. Cancer. Silencing a metabolic oncogene. Science. 2013  May 3;340(6132):558-9. doi: 10.1126/science.1238523. PubMed PMID: 23641103.



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