MedKoo Cat#: 130288 | Name: GSK878

Description:

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

GSK878 is a long-lasting HIV-1 capsid inhibitor for use against HIV-1. GSK878 is highly potent, inhibiting an HIV-1 reporter virus in MT-2 cells with a mean 50% effective concentration (EC50) of 39 pM and inhibiting a panel of 48 chimeric viruses containing diverse CA sequences with a mean EC50 of 94 pM. GSK878 blocked both early (preintegration) and late (postintegration) steps in HIV-1 replication, with the early inhibition primarily determining the compound's antiviral activity.

Chemical Structure

GSK878
GSK878
CAS#2417048-11-2

Theoretical Analysis

MedKoo Cat#: 130288

Name: GSK878

CAS#: 2417048-11-2

Chemical Formula: C41H38ClF6N9O5S

Exact Mass: 917.2309

Molecular Weight: 918.31

Elemental Analysis: C, 53.63; H, 4.17; Cl, 3.86; F, 12.41; N, 13.73; O, 8.71; S, 3.49

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
GSK878; GSK 878; GSK-878
IUPAC/Chemical Name
N-((S)-1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-7-((2R,6S)-2,6-dimethylmorpholino)-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide
InChi Key
LOVFOWXSYBFKHA-POMDDMCKSA-N
InChi Code
InChI=1S/C41H38ClF6N9O5S/c1-18-15-55(16-19(2)62-18)23-5-6-24-28(13-23)50-39(57(40(24)59)30-8-7-27(42)33-35(30)54(3)52-38(33)53-63(4,60)61)29(11-20-9-21(43)12-22(44)10-20)49-31(58)17-56-36-32(34(51-56)37(45)46)25-14-26(25)41(36,47)48/h5-10,12-13,18-19,25-26,29,37H,11,14-17H2,1-4H3,(H,49,58)(H,52,53)/t18-,19+,25-,26+,29-/m0/s1
SMILES Code
O=C(N[C@H](C(N1C2=CC=C(Cl)C3=C2N(C)N=C3NS(=O)(C)=O)=NC4=C(C=CC(N5C[C@@H](C)O[C@@H](C)C5)=C4)C1=O)CC6=CC(F)=CC(F)=C6)CN7N=C(C(F)F)C8=C7C(F)(F)[C@@]9([H])[C@]8([H])C9
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 918.31 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: Marquis KA, Everett J, Cantu A, McFarland A, Sherrill-Mix S, Krystal M, Parcella K, Gillis E, Fridell RA, Bushman FD. The HIV-1 Capsid-Targeted Inhibitor GSK878 Alters Selection of Target Sites for HIV DNA Integration. AIDS Res Hum Retroviruses. 2024 Feb;40(2):114-126. doi: 10.1089/AID.2022.0161. Epub 2023 Jun 7. PMID: 37125442; PMCID: PMC10877385. 2: Wang C, Huang H, Mallon K, Valera L, Parcella K, Cockett MI, Kadow JF, Gillis EP, Krystal M, Fridell RA. Antiviral Properties of HIV-1 Capsid Inhibitor GSK878. Antimicrob Agents Chemother. 2023 May 17;67(5):e0169422. doi: 10.1128/aac.01694-22. Epub 2023 Apr 11. PMID: 37039636; PMCID: PMC10190262. 3: Gillis EP, Parcella K, Bowsher M, Cook JH, Iwuagwu C, Naidu BN, Patel M, Peese K, Huang H, Valera L, Wang C, Kieltyka K, Parker DD, Simmermacher J, Arnoult E, Nolte RT, Wang L, Bender JA, Frennesson DB, Saulnier M, Wang AX, Meanwell NA, Belema M, Hanumegowda U, Jenkins S, Krystal M, Kadow JF, Cockett M, Fridell R. Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold. J Med Chem. 2023 Feb 9;66(3):1941-1954. doi: 10.1021/acs.jmedchem.2c01732. Epub 2023 Jan 31. PMID: 36719971.