Temsavir | BMS-626529 | CAS#701213-36-7 | HIV-1 attachment inhibitor

MedKoo Cat#: 510308 | Name: Temsavir (BMS-626529)

Description:

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

Temsavir, also known as BMS-626529, is a potent HIV-1 attachment inhibitor. BMS-663068 is also the phosphonooxymethyl prodrug of BMS-626529 that targets HIV-1 gp120 and prevents its binding to CD4(+) T cells. BMS-626529 had half-maximal effective concentration (EC(50)) values of <10 nM against the vast majority of viral isolates; however, susceptibility varied by >6 log(10), with half-maximal effective concentration values in the low pM range against the most susceptible viruses.

Chemical Structure

Temsavir (BMS-626529)

CAS#701213-36-7

Theoretical Analysis

MedKoo Cat#: 510308

Name: Temsavir (BMS-626529)

CAS#: 701213-36-7

Chemical Formula: C24H23N7O4

Exact Mass: 473.1812

Molecular Weight: 473.48

Elemental Analysis: C, 60.88; H, 4.90; N, 20.71; O, 13.52

Price and Availability

Size	Price	Availability
10mg	USD 150.00	Ready to ship
25mg	USD 250.00	Ready to ship
50mg	USD 450.00	Ready to ship
100mg	USD 750.00	Ready to ship
200mg	USD 1,250.00	Ready to ship
500mg	USD 2,150.00	Ready to ship
1g	USD 2,750.00	Ready to ship
2g	USD 3,950.00	2 weeks
5g	USD 5,950.00	2 weeks

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Related CAS #

No Data

Synonym

BMS626529; BMS 626529; BMS-626529; Temsavir

IUPAC/Chemical Name

1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

InChi Key

QRPZBKAMSFHVRW-UHFFFAOYSA-N

InChi Code

InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3

SMILES Code

O=C(N1CCN(C(C2=CC=CC=C2)=O)CC1)C(C3=CNC4=C3C(OC)=CN=C4N5N=C(C)N=C5)=O

Appearance

White to off-white 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

Certificate of Analysis

View CoA: current batch, Lot#BBC60222

QC Data

View QC data: current batch, Lot#BBC60222

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 473.48 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: Zhou N, Nowicka-Sans B, McAuliffe B, Ray N, Eggers B, Fang H, Fan L, Healy M, Langley DR, Hwang C, Lataillade M, Hanna GJ, Krystal M. Genotypic correlates of susceptibility to HIV-1 attachment inhibitor BMS-626529, the active agent of the prodrug BMS-663068. J Antimicrob Chemother. 2014 Mar;69(3):573-81. doi: 10.1093/jac/dkt412. Epub 2013 Oct 14. PubMed PMID: 24128669. 2: Li Z, Zhou N, Sun Y, Ray N, Lataillade M, Hanna GJ, Krystal M. Activity of the HIV-1 attachment inhibitor BMS-626529, the active component of the prodrug BMS-663068, against CD4-independent viruses and HIV-1 envelopes resistant to other entry inhibitors. Antimicrob Agents Chemother. 2013 Sep;57(9):4172-80. doi: 10.1128/AAC.00513-13. Epub 2013 Jun 17. PubMed PMID: 23774428; PubMed Central PMCID: PMC3754311. 3: Brown J, Chien C, Timmins P, Dennis A, Doll W, Sandefer E, Page R, Nettles RE, Zhu L, Grasela D. Compartmental absorption modeling and site of absorption studies to determine feasibility of an extended-release formulation of an HIV-1 attachment inhibitor phosphate ester prodrug. J Pharm Sci. 2013 Jun;102(6):1742-51. doi: 10.1002/jps.23476. Epub 2013 Apr 5. PubMed PMID: 23681563. 4: Ray N, Hwang C, Healy MD, Whitcomb J, Lataillade M, Wind-Rotolo M, Krystal M, Hanna GJ. Prediction of virological response and assessment of resistance emergence to the HIV-1 attachment inhibitor BMS-626529 during 8-day monotherapy with its prodrug BMS-663068. J Acquir Immune Defic Syndr. 2013 Sep 1;64(1):7-15. doi: 10.1097/QAI.0b013e31829726f3. PubMed PMID: 23614999. 5: SouliÃ© C, Lambert-Niclot S, Fofana DB, Fourati S, Ait-Arkoub Z, Sayon S, Simon A, Katlama C, Calvez V, Marcelin AG. Frequency of amino acid changes associated with resistance to attachment inhibitor BMS-626529 in R5- and X4-tropic HIV-1 subtype B. J Antimicrob Chemother. 2013 Jun;68(6):1243-5. doi: 10.1093/jac/dkt018. Epub 2013 Feb 8. PubMed PMID: 23396856. 6: Nettles RE, SchÃ¼rmann D, Zhu L, Stonier M, Huang SP, Chang I, Chien C, Krystal M, Wind-Rotolo M, Ray N, Hanna GJ, Bertz R, Grasela D. Pharmacodynamics, safety, and pharmacokinetics of BMS-663068, an oral HIV-1 attachment inhibitor in HIV-1-infected subjects. J Infect Dis. 2012 Oct 1;206(7):1002-11. doi: 10.1093/infdis/jis432. Epub 2012 Aug 14. PubMed PMID: 22896665. 7: Nowicka-Sans B, Gong YF, McAuliffe B, Dicker I, Ho HT, Zhou N, Eggers B, Lin PF, Ray N, Wind-Rotolo M, Zhu L, Majumdar A, Stock D, Lataillade M, Hanna GJ, Matiskella JD, Ueda Y, Wang T, Kadow JF, Meanwell NA, Krystal M. In vitro antiviral characteristics of HIV-1 attachment inhibitor BMS-626529, the active component of the prodrug BMS-663068. Antimicrob Agents Chemother. 2012 Jul;56(7):3498-507. doi: 10.1128/AAC.00426-12. Epub 2012 Apr 30. PubMed PMID: 22547625; PubMed Central PMCID: PMC3393465. 8: Charpentier C, Larrouy L, Visseaux B, Landman R, Levittas M, Storto A, Damond F, Yazdanpanah Y, Yeni P, Brun-VÃ©zinet F, Descamps D. Prevalence of subtype-related polymorphisms associated with in vitro resistance to attachment inhibitor BMS-626529 in HIV-1 'non-B'-infected patients. J Antimicrob Chemother. 2012 Jun;67(6):1459-61. doi: 10.1093/jac/dks067. Epub 2012 Mar 1. PubMed PMID: 22382470