6H05 trifluoroacetate

• CAT Number: I005812
• CAS Number: 1469338-01-9
• Molecular Formula: C22H31ClF3N3O4S3
• Molecular Weight: 590.14
• Purity: ≥95%
• Target: K-Ras
• Solubility: DMSO: ≥ 51 mg/mL
• Storage: Store at -20°C
• IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylacetyl]-N-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
• 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)
• InChIKey: YNMYIJSFFJXIRV-UHFFFAOYSA-N
• SMILES: CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl.C(=O)(C(F)(F)F)O

6H05 trifluoroacetate（Cat No.:I005812）is a chemical compound used in research, particularly in the field of medicinal chemistry. It consists of a 6H05 molecule, likely referring to a specific pharmacologically active scaffold, and is paired with a trifluoroacetate salt form. Trifluoroacetate is commonly used as a counterion to stabilize or improve the solubility of drugs and active compounds. The trifluoroacetate form can also affect the compound’s bioavailability and pharmacokinetic properties. 6H05 trifluoroacetate may be under investigation for its potential therapeutic applications, such as in oncology or other diseases, depending on its molecular activity.

Reference

[1]. Ostrem JM, et al. K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature. 2013 Nov 28;503(7477):548-51.


[2]. Lu S, et al. Harnessing allostery: a novel approach to drug discovery. Med Res Rev. 2014 Nov;34(6):1242-85.