BMS-707035
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 524519

CAS#: 729607-74-3

Description: 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

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BMS-707035
CAS# 729607-74-3

Theoretical Analysis

MedKoo Cat#: 524519
Name: BMS-707035
CAS#: 729607-74-3
Chemical Formula: C17H19FN4O5S
Exact Mass: 410.11
Molecular Weight: 410.420
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 Quantity
10mg USD 285 2 Weeks
50mg USD 645 2 Weeks
100mg USD 1030 2 Weeks
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Synonym: BMS-707035; BMS-707035; BMS-707035.

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:
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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 44.0 107.21

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.

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: 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: 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 vivo 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.

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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.