5M038

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

MedKoo CAT#: 525888

CAS#: 338962-32-6

Description: 5M038 is a novel inhibitor of HIV envelope-mediated fusion, strongly inhibiting gp41-mediated membrane fusion.


Price and Availability

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Price

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5M038 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 525888
Name: 5M038
CAS#: 338962-32-6
Chemical Formula: C17H8F6N4
Exact Mass: 382.0653
Molecular Weight: 382.2694
Elemental Analysis: C, 53.41; H, 2.11; F, 29.82; N, 14.66


Synonym: 5M038

IUPAC/Chemical Name: 9-Phenyl-2,4-bis(trifluoromethyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

InChi Key: GHRWOOWATMATRL-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H8F6N4/c18-16(19,20)11-8-12(17(21,22)23)24-15-10(11)6-7-13-25-26-14(27(13)15)9-4-2-1-3-5-9/h1-8H

SMILES Code: FC(C1=C2C=CC3=NN=C(C4=CC=CC=C4)N3C2=NC(C(F)(F)F)=C1)(F)F


Technical Data

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

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).

Harmonized System Code:
293490


References

1: Sepehri S, Saghaie L, Fassihi A. Anti-HIV-1 Activity Prediction of Novel Gp41 Inhibitors Using Structure-Based Virtual Screening and Molecular Dynamics Simulation. Mol Inform. 2017 Mar;36(3). doi: 10.1002/minf.201600060. Epub 2016 Oct 12. PubMed PMID: 27730744.

2: Sardari S, Azadmanesh K, Mahboudi F, Davood A, Vahabpour R, Zabihollahi R, Gomari H. Design of Small Molecules with HIV Fusion Inhibitory Property Based on Gp41 Interaction Assay. Avicenna J Med Biotechnol. 2013 Apr;5(2):78-86. PubMed PMID: 23799176; PubMed Central PMCID: PMC3689560.

3: Qadir MI, Malik SA. Genetic variation in the HR region of the env gene of HIV: A perspective for resistance to HIV fusion inhibitors. AIDS Res Hum Retroviruses. 2011 Jan;27(1):57-63. doi: 10.1089/aid.2010.0098. Epub 2010 Sep 28. PubMed PMID: 20874419.

4: Katritzky AR, Tala SR, Lu H, Vakulenko AV, Chen QY, Sivapackiam J, Pandya K, Jiang S, Debnath AK. Design, synthesis, and structure-activity relationship of a novel series of 2-aryl 5-(4-oxo-3-phenethyl-2-thioxothiazolidinylidenemethyl)furans as HIV-1 entry inhibitors. J Med Chem. 2009 Dec 10;52(23):7631-9. doi: 10.1021/jm900450n. PubMed PMID: 19746983; PubMed Central PMCID: PMC2802534.

5: Liu K, Lu H, Hou L, Qi Z, Teixeira C, Barbault F, Fan BT, Liu S, Jiang S, Xie L. Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41. J Med Chem. 2008 Dec 25;51(24):7843-54. doi: 10.1021/jm800869t. PubMed PMID: 19053778; PubMed Central PMCID: PMC2656571.

6: Jiang S, Lu H, Liu S, Zhao Q, He Y, Debnath AK. N-substituted pyrrole derivatives as novel human immunodeficiency virus type 1 entry inhibitors that interfere with the gp41 six-helix bundle formation and block virus fusion. Antimicrob Agents Chemother. 2004 Nov;48(11):4349-59. PubMed PMID: 15504864; PubMed Central PMCID: PMC525433.