For research use only. Not for therapeutic Use.
CA inhibitor 1 (GS-6207 analog) is a potent HIV capsid inhibitor for HIV inhibition[1]. CA inhibitor 1 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
| CAS Number | 2189684-45-3 |
| Synonyms | N-[(1S)-1-[3-[4-chloro-3-(cyclopropylsulfonylamino)-1-(2,2-difluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide |
| Molecular Formula | C41H36ClF8N7O5S2 |
| Purity | ≥95% |
| InChI | InChI=1S/C41H36ClF8N7O5S2/c1-40(2,63(3,59)60)11-10-22-4-7-24(25-8-9-28(42)33-36(25)56(17-30(45)46)54-39(33)55-64(61,62)23-5-6-23)34(51-22)29(14-19-12-20(43)15-21(44)13-19)52-31(58)18-57-37-32(35(53-57)38(47)48)26-16-27(26)41(37,49)50/h4,7-9,12-13,15,23,26-27,29-30,38H,5-6,14,16-18H2,1-3H3,(H,52,58)(H,54,55)/t26-,27+,29-/m0/s1 |
| InChIKey | CPCUUUACFKQOHY-GKRYNVPLSA-N |
| SMILES | CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3CC(F)F)NS(=O)(=O)C4CC4)C(CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C(C8CC8C7(F)F)C(=N6)C(F)F)S(=O)(=O)C |
| Reference | [1]. Michael Graupe, et al. Therapeutic compounds useful for the prophylactic or therapeutic treatment of an hiv virus infection. WO2018035359A1. |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
