WARNING: This product is for research use only, not for human or veterinary use.
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.
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
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
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.
| 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 |
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.
