MedKoo Cat#: 581027 | Name: GSK2838232-isomer

Description:

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

GSK2838232-isomer is an isomer of GSK2838232, in which the chlorine atom is in the 3-position in the benzene ring. GSK2838232 has the chlorine atom in the 4-position in the benzene ring. GSK2838232 is a novel human immune virus (HIV) maturation inhibitor being developed for the treatment of chronic HIV infection. GGSK2838232 is derived from the triterpene betulin natural product that has demonstrated an excellent virological profile against a panel of viruses and retains activity to viruses with key resistance mutations.

Chemical Structure

GSK2838232-isomer
GSK2838232-isomer
CAS#1443461-21-9 (GSK2838232-isomer)

Theoretical Analysis

MedKoo Cat#: 581027

Name: GSK2838232-isomer

CAS#: 1443461-21-9 (GSK2838232-isomer)

Chemical Formula: C48H73ClN2O6

Exact Mass: 808.5157

Molecular Weight: 809.57

Elemental Analysis: C, 71.21; H, 9.09; Cl, 4.38; N, 3.46; O, 11.86

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.
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Synonym
GSK2838232-isomer; GSK 2838232-isomer; GSK-2838232-isomer; GSK2838232 isomer;
IUPAC/Chemical Name
4-(((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((R)-2-((3-chlorobenzyl)(2-(dimethylamino)ethyl)amino)-1-hydroxyethyl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl)oxy)-2,2-dimethyl-4-oxobutanoic acid
InChi Key
DSNMRZSQABDJDK-PZFKGGKESA-N
InChi Code
InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(24-23-50(10)11)28-31-13-12-14-32(49)25-31)22-21-46(8)33(41(40)48)15-16-36-45(7)19-18-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)17-20-47(36,46)9/h12-14,25,30,33,35-38,53H,15-24,26-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
SMILES Code
O=C(O)C(C)(C)CC(O[C@@H](CC[C@]1(C)[C@@]2([H])CC[C@@]34[H])C(C)(C)[C@]1([H])CC[C@@]2(C)[C@]3(C)CC[C@]5([C@@H](O)CN(CC6=CC=CC(Cl)=C6)CCN(C)C)C4=C(C(C)C)C(C5)=O)=O
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
>2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 809.57 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: Shamshina JL, Rogers RD. Are Myths and Preconceptions Preventing us from Applying Ionic Liquid Forms of Antiviral Medicines to the Current Health Crisis? Int J Mol Sci. 2020 Aug 20;21(17):6002. doi: 10.3390/ijms21176002. PMID: 32825444; PMCID: PMC7503643. 2: Johnson M, Jewell RC, Gan J, Dumont E, Burns O, Johns BA. A Phase 1 Study to Assess the Relative Bioavailability, Food Effect, and Safety of a Tablet Formulation of GSK2838232, a Novel HIV Maturation Inhibitor in Healthy Participants After Single and Repeated Doses. Clin Pharmacol Drug Dev. 2020 Nov;9(8):972-977. doi: 10.1002/cpdd.820. Epub 2020 Jun 18. PMID: 32558338. 3: DeJesus E, Harward S, Jewell RC, Johnson M, Dumont E, Wilches V, Halliday F, Talarico CL, Jeffrey J, Gan J, Xu J, Felizarta F, Scribner A, Ramgopal M, Benson P, Johns BA. A Phase IIa Study Evaluating Safety, Pharmacokinetics, and Antiviral Activity of GSK2838232, a Novel, Second-generation Maturation Inhibitor, in Participants With Human Immunodeficiency Virus Type 1 Infection. Clin Infect Dis. 2020 Aug 22;71(5):1255-1262. doi: 10.1093/cid/ciz938. PMID: 31769793. 4: Johnson M, Jewell RC, Peppercorn A, Gould E, Xu J, Lou Y, Davies M, Baldwin S, Tenorio AR, Burke M, Jeffrey J, Johns BA. The safety, tolerability, and pharmacokinetic profile of GSK2838232, a novel 2nd generation HIV maturation inhibitor, as assessed in healthy subjects. Pharmacol Res Perspect. 2018 Jun 5;6(4):e00408. doi: 10.1002/prp2.408. PMID: 29930812; PMCID: PMC5989765.