GSK3739936 | CAS#unknown | HIV‑1 Allosteric Integrase Inhibitor

MedKoo Cat#: 466225 | Name: GSK3739936

Description:

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

GSK3739936, also known as BMS-986180, is a HIV‑1 Allosteric Integrase Inhibitor.

Chemical Structure

GSK3739936

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 466225

Name: GSK3739936

CAS#: unknown

Chemical Formula: C34H43FN2O4

Exact Mass: 562.3207

Molecular Weight: 562.73

Elemental Analysis: C, 72.57; H, 7.70; F, 3.38; N, 4.98; O, 11.37

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

GSK3739936; GSK 3739936; GSK-3739936; BMS-986180; BMS986180; BMS 986180;

IUPAC/Chemical Name

(S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluorophenethoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid

InChi Key

LISBHANFFRGXOI-HKBQPEDESA-N

InChi Code

InChI=1S/C34H43FN2O4/c1-22-28(25-10-14-27(15-11-25)40-21-16-24-8-12-26(35)13-9-24)30(37-19-17-34(6,7)18-20-37)29(23(2)36-22)31(32(38)39)41-33(3,4)5/h8-15,31H,16-21H2,1-7H3,(H,38,39)/t31-/m0/s1

SMILES Code

CC(N=C(C)C([C@H](OC(C)(C)C)C(O)=O)=C1N2CCC(C)(C)CC2)=C1C3=CC=C(OCCC4=CC=C(F)C=C4)C=C3

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 562.73 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.

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: Naidu BN, Patel M, McAuliffe B, Ding B, Cianci C, Simmermacher J, Jenkins S, Parker DD, Sivaprakasam P, Khan JA, Kish K, Lewis H, Hanumegowda U, Krystal M, Meanwell NA, Kadow JF. Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad- Spectrum Activity toward 124/125 Polymorphs. J Med Chem. 2022 Mar 24;65(6):4949-4971. doi: 10.1021/acs.jmedchem.1c02169. Epub 2022 Mar 2. PMID: 35235334.