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MedKoo Cat#: 593197 | Name: GS-CA1
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Description:

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

GS-CA1 is a potent HIV capsid inhibitor for HIV inhibition. GS-CA1 has a similar chemical structure with Lenacapavir (GS-6207).

Chemical Structure

GS-CA1
GS-CA1
CAS#2189684-45-3

Theoretical Analysis

MedKoo Cat#: 593197

Name: GS-CA1

CAS#: 2189684-45-3

Chemical Formula: C41H36ClF8N7O5S2

Exact Mass: 957.1780

Molecular Weight: 958.34

Elemental Analysis: C, 51.39; H, 3.79; Cl, 3.70; F, 15.86; N, 10.23; O, 8.35; S, 6.69

Price and Availability

Size Price Availability Quantity
5mg USD 650.00 2 Weeks
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Related CAS #
No Data
Synonym
GSCA1; GS-CA1; GS CA1; CA inhibitor 1; GS-6207 analog; GS6207 analog; GS 6207 analog;
IUPAC/Chemical Name
(3bS,4aR)-N-[(1S)-1-[3-[4-Chloro-3-[(cyclopropylsulfonyl)amino]-1-(2,2-difluoroethyl)-1H-indazol-7-yl]-6-[3-methyl-3-(methylsulfonyl)-1-butyn-1-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-acetamide
InChi Key
CPCUUUACFKQOHY-GKRYNVPLSA-N
InChi Code
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
SMILES Code
O=C(N[C@H](C1=NC(C#CC(S(=O)(C)=O)(C)C)=CC=C1C2=CC=C(Cl)C3=C2N(CC(F)F)N=C3NS(=O)(C4CC4)=O)CC5=CC(F)=CC(F)=C5)CN6N=C(C(F)F)C7=C6C(F)(F)[C@@]8([H])[C@]7([H])C8
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
Soluble in DMSO
Shelf Life
>3 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
HIV-1 capsid inhibitors (of which lenacapavir is the first in class) has been postulated to have activity against multidrug resistant HIV-1 viral isolates. Initial results from the phase 3 trial CAPELLA (combining oral and subcutaneous lenacapavir alongside failing drug therapies) suggest that there may be a role for these novel agents in a cohort of patients living with HIV-1 infection (PLWH) for whom multidrug resistance has previously been a barrier to effective therapy.

Preparing Stock Solutions

The following data is based on the product molecular weight 958.34 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
1: Rasool N, Hussain W. Three Major Phosphoacceptor Sites in HIV-1 Capsid Protein Enhances its Structural Stability and Resistance Against the Inhibitor: Explication Through Molecular Dynamics Simulation, Molecular Docking and DFT Analysis. Comb Chem High Throughput Screen. 2020;23(1):41-54. doi:10.2174/1386207323666191213142223. PubMed PMID: 31838993. 2: McArthur C, Gallazzi F, Quinn TP, Singh K. HIV Capsid Inhibitors Beyond PF74. Diseases. 2019 Oct 30;7(4). pii: E56. doi: 10.3390/diseases7040056. Review. PubMed PMID: 31671622; PubMed Central PMCID: PMC6956309. 3: Yant SR, Mulato A, Hansen D, Tse WC, Niedziela-Majka A, Zhang JR, Stepan GJ, Jin D, Wong MH, Perreira JM, Singer E, Papalia GA, Hu EY, Zheng J, Lu B, Schroeder SD, Chou K, Ahmadyar S, Liclican A, Yu H, Novikov N, Paoli E, Gonik D, Ram RR, Hung M, McDougall WM, Brass AL, Sundquist WI, Cihlar T, Link JO. A highly potent long-acting small-molecule HIV-1 capsid inhibitor with efficacy in a humanized mouse model. Nat Med. 2019 Sep;25(9):1377-1384. doi: 10.1038/s41591-019-0560-x. Epub 2019 Sep 9. PubMed PMID: 31501601. 4: Singh K, Gallazzi F, Hill KJ, Burke DH, Lange MJ, Quinn TP, Neogi U, Sönnerborg A. GS-CA Compounds: First-In-Class HIV-1 Capsid Inhibitors Covering Multiple Grounds. Front Microbiol. 2019 Jun 20;10:1227. doi: 10.3389/fmicb.2019.01227. eCollection 2019. PubMed PMID: 31312185; PubMed Central PMCID: PMC6613529. 5: Pak AJ, Grime JMA, Yu A, Voth GA. Off-Pathway Assembly: A Broad-Spectrum Mechanism of Action for Drugs That Undermine Controlled HIV-1 Viral Capsid Formation. J Am Chem Soc. 2019 Jul 3;141(26):10214-10224. doi: 10.1021/jacs.9b01413. Epub 2019 Jun 19. PubMed PMID: 31244184; PubMed Central PMCID: PMC6739737. 6: Carnes SK, Sheehan JH, Aiken C. Inhibitors of the HIV-1 capsid, a target of opportunity. Curr Opin HIV AIDS. 2018 Jul;13(4):359-365. doi: 10.1097/COH.0000000000000472. Review. PubMed PMID: 29782334; PubMed Central PMCID: PMC6075716. 7: Perrier M, Bertine M, Le Hingrat Q, Joly V, Visseaux B, Collin G, Landman R, Yazdanpanah Y, Descamps D, Charpentier C. Prevalence of gag mutations associated with in vitro resistance to capsid inhibitor GS-CA1 in HIV-1 antiretroviral-naive patients. J Antimicrob Chemother. 2017 Oct 1;72(10):2954-2955. doi: 10.1093/jac/dkx208. PubMed PMID: 29091184.