BMS-707035 | CAS#729607-74-3 | HIV-I Integrase Inhibitor

MedKoo Cat#: 524519 | Name: BMS-707035

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Description:

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

BMS-707035 is a potent, specific, and reversible HIV-I integrase (IN) inhibitor that blocks HIV IN strand transfer activity IC50 of 15 nM. BMS-707035 binding affinity to IN is also affected by the four terminal bases at the 5’ end of the pre-processed U5 long terminal repeat (LTR).

Chemical Structure

BMS-707035

CAS#729607-74-3

Theoretical Analysis

MedKoo Cat#: 524519

Name: BMS-707035

CAS#: 729607-74-3

Chemical Formula: C17H19FN4O5S

Exact Mass: 410.1060

Molecular Weight: 410.42

Elemental Analysis: C, 49.75; H, 4.67; F, 4.63; N, 13.65; O, 19.49; S, 7.81

Price and Availability

Size	Price	Availability
10mg	USD 285.00	2 Weeks
25mg	USD 505.00	2 Weeks
50mg	USD 850.00	2 Weeks

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Related CAS #

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Synonym

BMS-707035; BMS-707035; BMS-707035; HIV-1 Integrase Inhibitor 1

IUPAC/Chemical Name

2-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

InChi Key

VNIWZCGZPBJWBI-UHFFFAOYSA-N

InChi Code

InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)

SMILES Code

Cn1c(=O)c(c(nc1N2CCCCS2(=O)=O)C(=O)NCc3ccc(cc3)F)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, not in water

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

BMS-707035 is an HIV-1 integrase (IN) inhibitor with an IC50 value of 15 nM.

In vitro activity:

Plasma protein binding of 13a (BMS-707035) was high in all species (≥93.7%) and the compound was not overtly cytotoxic to several cell lines, with CC50 values of ≥45 μM. Reference: Bioorg Med Chem Lett. 2018 Jul 1;28(12):2124-2130. https://pubmed.ncbi.nlm.nih.gov/29779976/

In vivo activity:

Compound 13a (BMS-707035) was characterized as a low clearance compound in the rat, dog and monkey with moderate to long elimination half-lives in all species. The volume of distribution was low across the species, indicating that compound distribution outside of the plasma is minimal. When 13a was dosed in solution, the oral exposure was high and absolute oral bioavailabilities ranged between 56 and 129%. Reference: Bioorg Med Chem Lett. 2018 Jul 1;28(12):2124-2130. https://pubmed.ncbi.nlm.nih.gov/29779976/

	Solvent	mg/mL	mM	comments
Solubility
	DMSO	44.0	107.21

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 410.42 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

Formulation protocol:

1. Naidu BN, Walker MA, Sorenson ME, Ueda Y, Matiskella JD, Connolly TP, Dicker IB, Lin Z, Bollini S, Terry BJ, Higley H, Zheng M, Parker DD, Wu D, Adams S, Krystal MR, Meanwell NA. The discovery and preclinical evaluation of BMS-707035, a potent HIV-1 integrase strand transfer inhibitor. Bioorg Med Chem Lett. 2018 Jul 1;28(12):2124-2130. doi: 10.1016/j.bmcl.2018.05.027. Epub 2018 May 14. PMID: 29779976.

In vitro protocol:

In vivo protocol:

1: Cotelle P. 3-Hydroxy-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-ones as new HIV-1 integrase inhibitors WO2011046873 A1. Expert Opin Ther Pat. 2011 Nov;21(11):1799-804. doi: 10.1517/13543776.2011.624272. Epub 2011 Oct 6. PubMed PMID: 21974685. 2: Al-Mawsawi LQ, Al-Safi RI, Neamati N. Anti-infectives: clinical progress of HIV-1 integrase inhibitors. Expert Opin Emerg Drugs. 2008 Jun;13(2):213-25. doi: 10.1517/14728214.13.2.213 . Review. PubMed PMID: 18537517. 3: Dayam R, Al-Mawsawi LQ, Neamati N. HIV-1 integrase inhibitors: an emerging clinical reality. Drugs R D. 2007;8(3):155-68. Review. PubMed PMID: 17472411.