MedKoo Cat#: 525888 | Name: 5M038

Description:

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

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

Chemical Structure

5M038
5M038
CAS#338962-32-6

Theoretical Analysis

MedKoo Cat#: 525888

Name: 5M038

CAS#: 338962-32-6

Chemical Formula: C17H8F6N4

Exact Mass: 382.0653

Molecular Weight: 382.27

Elemental Analysis: C, 53.41; H, 2.11; F, 29.82; N, 14.66

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
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
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).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 382.27 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
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.