MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 406493 | Name: AGI-6780
Featured New

Description:

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

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

AGI-6780
AGI-6780
CAS#1432660-47-3

Theoretical Analysis

MedKoo Cat#: 406493

Name: AGI-6780

CAS#: 1432660-47-3

Chemical Formula: C21H18F3N3O3S2

Exact Mass: 481.0742

Molecular Weight: 481.51

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
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,350.00 Ready to ship
500mg USD 2,950.00 Ready to ship
1g USD 4,850.00 2 Weeks
2g USD 7,450.00 2 Weeks
Show More
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
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
More Info
        
Biological target:
AGI-6780 inhibits the tumor-associated mutant IDH2R140Q with IC50 of 23±1.7 nM and IDH2WT with IC50 of 190±8.1 nM.
In vitro activity:
AGI-6780 is a commercially available IDH2 inhibitor that can target both the IDH2 mutant and wild type enzymes with different IC50s 40. AGI-6780 selectively inhibited proliferation of lung cancer cells, but did not affect normal MRC5 lung fibroblasts (Figure 6A). H460 and A549 cells treated with 20 μM AGI-6780 for 24 h had a 30-40% reduction in IDH activity (Figure 6B). AGI-6780 decreased lung cancer cell viability (Figure 6C) and proliferation (Figure 6D) in a time- and dose-dependent manner. Reference: Theranostics. 2018; 8(15): 4050–4061. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6096397/
In vivo activity:
N/A
Solvent mg/mL mM
Solubility
DMSO 51.7 107.31
DMSO:PBS (pH 7.2) (1:4) 0.2 0.42
DMF 30.0 62.30
Ethanol 50.5 104.88
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 481.51 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
Formulation protocol:
1. Li J, He Y, Tan Z, Lu J, Li L, Song X, Shi F, Xie L, You S, Luo X, Li N, Li Y, Liu X, Tang M, Weng X, Yi W, Fan J, Zhou J, Qiang G, Qiu S, Wu W, Bode AM, Cao Y. Wild-type IDH2 promotes the Warburg effect and tumor growth through HIF1α in lung cancer. Theranostics. 2018 Jul 16;8(15):4050-4061. doi: 10.7150/thno.21524. PMID: 30128035; PMCID: PMC6096397. 2. Wang F, Travins J, DeLaBarre B, Penard-Lacronique V, Schalm S, Hansen E, Straley K, Kernytsky A, Liu W, Gliser C, Yang H, Gross S, Artin E, Saada V, Mylonas E, Quivoron C, Popovici-Muller J, Saunders JO, Salituro FG, Yan S, Murray S, Wei W, Gao Y, Dang L, Dorsch M, Agresta S, Schenkein DP, Biller SA, Su SM, de Botton S, Yen KE. Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science. 2013 May 3;340(6132):622-6. doi: 10.1126/science.1234769. Epub 2013 Apr 4. PMID: 23558173.
In vitro protocol:
1. Li J, He Y, Tan Z, Lu J, Li L, Song X, Shi F, Xie L, You S, Luo X, Li N, Li Y, Liu X, Tang M, Weng X, Yi W, Fan J, Zhou J, Qiang G, Qiu S, Wu W, Bode AM, Cao Y. Wild-type IDH2 promotes the Warburg effect and tumor growth through HIF1α in lung cancer. Theranostics. 2018 Jul 16;8(15):4050-4061. doi: 10.7150/thno.21524. PMID: 30128035; PMCID: PMC6096397. 2. Wang F, Travins J, DeLaBarre B, Penard-Lacronique V, Schalm S, Hansen E, Straley K, Kernytsky A, Liu W, Gliser C, Yang H, Gross S, Artin E, Saada V, Mylonas E, Quivoron C, Popovici-Muller J, Saunders JO, Salituro FG, Yan S, Murray S, Wei W, Gao Y, Dang L, Dorsch M, Agresta S, Schenkein DP, Biller SA, Su SM, de Botton S, Yen KE. Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science. 2013 May 3;340(6132):622-6. doi: 10.1126/science.1234769. Epub 2013 Apr 4. PMID: 23558173.
In vivo protocol:
N/A
1: Zhang GF, Jensen MV, Gray SM, El K, Wang Y, Lu D, Becker TC, Campbell JE, Newgard CB. Reductive TCA cycle metabolism fuels glutamine- and glucose- stimulated insulin secretion. Cell Metab. 2021 Apr 6;33(4):804-817.e5. doi: 10.1016/j.cmet.2020.11.020. Epub 2020 Dec 14. PMID: 33321098; PMCID: PMC8115731. 2: Chen J, Yang J, Cao P. The Evolving Landscape in the Development of Isocitrate Dehydrogenase Mutant Inhibitors. Mini Rev Med Chem. 2016;16(16):1344-1358. doi: 10.2174/1389557516666160609085520. PMID: 27292784. 3: Bergaggio E, Riganti C, Garaffo G, Vitale N, Mereu E, Bandini C, Pellegrino E, Pullano V, Omedè P, Todoerti K, Cascione L, Audrito V, Riccio A, Rossi A, Bertoni F, Deaglio S, Neri A, Palumbo A, Piva R. IDH2 inhibition enhances proteasome inhibitor responsiveness in hematological malignancies. Blood. 2019 Jan 10;133(2):156-167. doi: 10.1182/blood-2018-05-850826. Epub 2018 Nov 19. PMID: 30455381. 4: Wang F, Travins J, DeLaBarre B, Penard-Lacronique V, Schalm S, Hansen E, Straley K, Kernytsky A, Liu W, Gliser C, Yang H, Gross S, Artin E, Saada V, Mylonas E, Quivoron C, Popovici-Muller J, Saunders JO, Salituro FG, Yan S, Murray S, Wei W, Gao Y, Dang L, Dorsch M, Agresta S, Schenkein DP, Biller SA, Su SM, de Botton S, Yen KE. Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science. 2013 May 3;340(6132):622-6. doi: 10.1126/science.1234769. Epub 2013 Apr 4. PMID: 23558173. 5: Kim J, DeBerardinis RJ. Cancer. Silencing a metabolic oncogene. Science. 2013 May 3;340(6132):558-9. doi: 10.1126/science.1238523. PMID: 23641103; PMCID: PMC4324171. 6: Liu W, Sun Y, Ge W, Zhang F, Gan L, Zhu Y, Guo T, Liu K. DIA-Based Proteomics Identifies IDH2 as a Targetable Regulator of Acquired Drug Resistance in Chronic Myeloid Leukemia. Mol Cell Proteomics. 2022 Feb;21(2):100187. doi: 10.1016/j.mcpro.2021.100187. Epub 2021 Dec 16. PMID: 34922009; PMCID: PMC8800142. 7: Chen J, Yang J, Sun X, Wang Z, Cheng X, Lu W, Cai X, Hu C, Shen X, Cao P. Allosteric inhibitor remotely modulates the conformation of the orthestric pockets in mutant IDH2/R140Q. Sci Rep. 2017 Nov 28;7(1):16458. doi: 10.1038/s41598-017-16427-w. PMID: 29184081; PMCID: PMC5705638. 8: Chen J, Yang J, Wei Q, Weng L, Wu F, Shi Y, Cheng X, Cai X, Hu C, Cao P. Identification of a selective inhibitor of IDH2/R140Q enzyme that induces cellular differentiation in leukemia cells. Cell Commun Signal. 2020 Apr 3;18(1):55. doi: 10.1186/s12964-020-00536-7. PMID: 32245484; PMCID: PMC7126369. 9: He D, Ma T, Yi N, Zhang S, Ding G. Significance of PBRM1 mutation in disease progress and drug selection in clear cell renal cell carcinoma. Biotechnol Genet Eng Rev. 2023 Apr 20:1-15. doi: 10.1080/02648725.2023.2204692. Epub ahead of print. PMID: 37079762. 10: Li J, He Y, Tan Z, Lu J, Li L, Song X, Shi F, Xie L, You S, Luo X, Li N, Li Y, Liu X, Tang M, Weng X, Yi W, Fan J, Zhou J, Qiang G, Qiu S, Wu W, Bode AM, Cao Y. Wild-type IDH2 promotes the Warburg effect and tumor growth through HIF1α in lung cancer. Theranostics. 2018 Jul 16;8(15):4050-4061. doi: 10.7150/thno.21524. PMID: 30128035; PMCID: PMC6096397. 11: Lee WY, Chen KC, Chen HY, Chen CY. Potential mitochondrial isocitrate dehydrogenase R140Q mutant inhibitor from traditional Chinese medicine against cancers. Biomed Res Int. 2014;2014:364625. doi: 10.1155/2014/364625. Epub 2014 Jun 5. PMID: 24995286; PMCID: PMC4066711. 12: Kernytsky A, Wang F, Hansen E, Schalm S, Straley K, Gliser C, Yang H, Travins J, Murray S, Dorsch M, Agresta S, Schenkein DP, Biller SA, Su SM, Liu W, Yen KE. IDH2 mutation-induced histone and DNA hypermethylation is progressively reversed by small-molecule inhibition. Blood. 2015 Jan 8;125(2):296-303. doi: 10.1182/blood-2013-10-533604. Epub 2014 Nov 14. PMID: 25398940; PMCID: PMC4295919.