NCATSSM5637 | CAS#unknown | mIDH1 inhibitor

MedKoo Cat#: 464534 | Name: NCATSSM5637

Description:

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

NCATSSM5637, also known as NSC 791985, is a potent mIDH1 inhibitor. NCATSSM5637 showed higher tumoral concentrations that corresponded to lower 2-HG concentrations, when compared with the approved drug AG-120 (ivosidenib).

Chemical Structure

NCATSSM5637

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464534

Name: NCATSSM5637

CAS#: unknown

Chemical Formula: C31H30Cl2N4O2S

Exact Mass: 592.1467

Molecular Weight: 593.57

Elemental Analysis: C, 62.73; H, 5.09; Cl, 11.94; N, 9.44; O, 5.39; S, 5.40

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

NCATSSM5637; NCATSSM-5637; NCATSSM 5637; NSC 791985; NSC791985; NSC-791985;

IUPAC/Chemical Name

1-(5-chloro-2-ethylphenyl)-3-(4-(4-chlorophenyl)thiazol-2-yl)-6-(2-methylprop-1-en-1-yl)-5-(piperazine-1-carbonyl)pyridin-2(1H)-one

InChi Key

JNGMCUDKLGCROW-UHFFFAOYSA-N

InChi Code

InChI=1S/C31H30Cl2N4O2S/c1-4-20-5-10-23(33)16-27(20)37-28(15-19(2)3)24(30(38)36-13-11-34-12-14-36)17-25(31(37)39)29-35-26(18-40-29)21-6-8-22(32)9-7-21/h5-10,15-18,34H,4,11-14H2,1-3H3

SMILES Code

CCC1=CC=C(Cl)C=C1N2C(C(C3=NC(C4=CC=C(Cl)C=C4)=CS3)=CC(C(N5CCNCC5)=O)=C2/C=C(C)\C)=O

Appearance

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 593.57 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: Rohde JM, Karavadhi S, Pragani R, Liu L, Fang Y, Zhang W, McIver A, Zheng H, Liu Q, Davis MI, Urban DJ, Lee TD, Cheff DM, Hollingshead M, Henderson MJ, Martinez NJ, Brimacombe KR, Yasgar A, Zhao W, Klumpp-Thomas C, Michael S, Covey J, Moore WJ, Stott GM, Li Z, Simeonov A, Jadhav A, Frye S, Hall MD, Shen M, Wang X, Patnaik S, Boxer MB. Discovery and Optimization of 2H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer. J Med Chem. 2021 Apr 6. doi: 10.1021/acs.jmedchem.1c00019. Epub ahead of print. PMID: 33822623.