Home Microbiology Integrase inhibitor BMS-707035

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BMS-707035 Integrase inhibitor

Cat.No.S1366

BMS-707035 is a specific HIV-I integrase (IN) inhibitor with IC50 of 15 nM. Phase 2.
BMS-707035 Integrase inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 410.42

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Quality Control

Batch: S136601 DMSO]38 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 99.8%
99.8

Chemical Information, Storage & Stability

Molecular Weight 410.42 Formula

C17H19FN4O5S

 Storage (From the date of receipt)
CAS No. 729607-74-3 Download SDF Storage of Stock Solutions

Synonyms N/A Smiles CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O

Solubility

In vitro
Batch:

DMSO : 38 mg/mL (92.58 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight

In vivo
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In vivo Formulation Calculator (Clear solution)

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Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Mechanism of Action

Targets/IC50/Ki
HIV-I integrase [1]
15 nM
In vitro
BMS-707035 is a pyrimidine carboxamide similar to Raltegravir, the first integrase inhibitor licensed for clinical use. This compound is a potent, specific, and reversible HIV-I integrase (IN) inhibitor that blocks HIV IN strand transfer activity with IC50 of 15 nM. [1] However, several IN mutations, including V75I, Q148R, V151I, and G163R are found to confer resistance to HIV IN inhibitors. The binding of this compound and target DNA to IN are mutually exclusive events, as revealed by the fact that the inhibition of strand transfer catalysis by this chemical is overcome by increasing amount of target DNA. The binding affinity of this compound to IN is also affected by the four terminal bases at the 5' end of the pre-processed U5 long terminal repeat (LTR). Gln148 of IN is crucial for the binding of this chemical to IN. [1] The 3' terminus of the viral LTR, on the other hand, retards the rate of this compound association with IN, by regulating the kinetics of binding and dissociation. [2]
References

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT00397566 Withdrawn
HIV Infections
Bristol-Myers Squibb
 February 2007 Phase 2

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