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MedKoo Cat#: 464213 | Name: GS-9822

Description:

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

GS-9822 is a novel LEDGIN, an inhibitor that targets the binding pocket of LEDGF/p75 which is a cellular cofactor that substantially contributes to HIV integration site selection, displaying a block-and-lock phenotype in cell culture.

Chemical Structure

GS-9822
GS-9822
CAS#2219362-41-9

Theoretical Analysis

MedKoo Cat#: 464213

Name: GS-9822

CAS#: 2219362-41-9

Chemical Formula: C36H39ClN4O4S

Exact Mass: 658.2381

Molecular Weight: 659.24

Elemental Analysis: C, 65.59; H, 5.96; Cl, 5.38; N, 8.50; O, 9.71; S, 4.86

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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Related CAS #
No Data
Synonym
GS-9822; GS9822; GS 9822;
IUPAC/Chemical Name
(R)-2-(tert-butoxy)-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(1-(oxetan-3-yl)piperidin-4-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetic acid
InChi Key
RRMWWVMCCINVHZ-JGCGQSQUSA-N
InChi Code
InChI=1S/C36H39ClN4O4S/c1-20-16-27-33(30(21-6-9-24(37)10-7-21)29(20)32(35(42)43)45-36(2,3)4)46-34(38-27)23-8-11-28-26(17-23)31(39-40(28)5)22-12-14-41(15-13-22)25-18-44-19-25/h6-11,16-17,22,25,32H,12-15,18-19H2,1-5H3,(H,42,43)/t32-/m1/s1
SMILES Code
O=C(O)[C@@H](C1=C(C)C=C2N=C(C3=CC4=C(N(C)N=C4C5CCN(C6COC6)CC5)C=C3)SC2=C1C7=CC=C(Cl)C=C7)OC(C)(C)C
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
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
Solvent mg/mL mM
Solubility
To be determined 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 659.24 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: Bruggemans A, Vansant G, Balakrishnan M, Mitchell ML, Cai R, Christ F, Debyser Z. GS-9822, a preclinical LEDGIN candidate, displays a block-and-lock phenotype in cell culture. Antimicrob Agents Chemother. 2021 Feb 22:AAC.02328-20. doi: 10.1128/AAC.02328-20. Epub ahead of print. PMID: 33619061.