GSK2838232-isomer

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MedKoo CAT#: 581027

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

Description: 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

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

Theoretical Analysis

MedKoo Cat#: 581027
Name: GSK2838232-isomer
CAS#: 1443461-21-9 (GSK2838232-isomer)
Chemical Formula: C48H73ClN2O6
Exact Mass: 808.52
Molecular Weight: 809.570
Elemental Analysis: C, 71.21; H, 9.09; Cl, 4.38; N, 3.46; O, 11.86

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1443460-91-0   1443461-21-9 (GSK2838232-isomer)    

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.