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.


Chemical Structure

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5M038
CAS# 338962-32-6

Theoretical Analysis

MedKoo Cat#: 525888
Name: 5M038
CAS#: 338962-32-6
Chemical Formula: C17H8F6N4
Exact Mass: 382.07
Molecular Weight: 382.269
Elemental Analysis: C, 53.41; H, 2.11; F, 29.82; N, 14.66

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.