6H05 trifluoroacetate

6H05 is a selective, and allosteric inhibitor of oncogenic K-Ras(G12C).

Product information

CAS Number: 2061344-88-3

Molecular Weight: 590.14

Formula: C22H31ClF3N3O4S3

Synonym:

K-Ras inhibitor

Chemical Name: 1-{2-[(4-chlorophenyl)sulfanyl]acetyl}-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)piperidine-4-carboxamide; trifluoroacetic acid

Smiles: CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)CSC1C=CC(Cl)=CC=1.OC(=O)C(F)(F)F

InChiKey: YNMYIJSFFJXIRV-UHFFFAOYSA-N

InChi: InChI=1S/C20H30ClN3O2S3.C2HF3O2/c1-23(2)12-14-29-28-13-9-22-20(26)16-7-10-24(11-8-16)19(25)15-27-18-5-3-17(21)4-6-18;3-2(4,5)1(6)7/h3-6,16H,7-15H2,1-2H3,(H,22,26);(H,6,7)

Technical Data

Appearance: Solid Power

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

Solubility: DMSO: 100 mg/mL (169.45 mM)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

6H05 gives the greatest degree of modification, which allosterically modifies the oncogenic G12C mutant of highly homologous protein H-Ras without affecting wild-type K-Ras. Furthermore, 6H05 can be used as an intermediate for the synthesis of other oncogenic K-Ras(G12C) inhibitors.

References:

1. Lu S, et al. Med Res Rev. 2014, 34(6), 1242-1285.
2. Ostrem JM, et al. Nature. 2013, 503(7477), 548-551.

Products are for research use only. Not for human use.