MedKoo Cat#: 574984 | Name: Umifenovir hydrochloride monohydrate

Description:

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

Umifenovir hydrochloride monohydrate is an antiviral that inhibits membrane fusion by preventing contact between a virus and target host cells.

Chemical Structure

Umifenovir hydrochloride monohydrate
Umifenovir hydrochloride monohydrate
CAS#868364-57-2 (HCl hydrate)

Theoretical Analysis

MedKoo Cat#: 574984

Name: Umifenovir hydrochloride monohydrate

CAS#: 868364-57-2 (HCl hydrate)

Chemical Formula: C22H28BrClN2O4S

Exact Mass: 530.0642

Molecular Weight: 531.89

Elemental Analysis: C, 49.68; H, 5.31; Br, 15.02; Cl, 6.66; N, 5.27; O, 12.03; S, 6.03

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.
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Related CAS #
Synonym
Arbidol hydrochloride monohydrate; Umifenovir hydrochloride monohydrate
IUPAC/Chemical Name
1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, hydrochloride, hydrate (1:1:1)
InChi Key
PLWQHPWNKPKQJT-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H25BrN2O3S.ClH.H2O/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;;/h6-11,26H,5,12-13H2,1-4H3;1H;1H2
SMILES Code
O.Cl.CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13
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
>3 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 531.89 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: Galiano V, Villalaín J. The Location of the Protonated and Unprotonated Forms of Arbidol in the Membrane: A Molecular Dynamics Study. J Membr Biol. 2016 Feb 3. [Epub ahead of print] PubMed PMID: 26843065. 2: Pécheur EI, Borisevich V, Halfmann P, Morrey JD, Smee DF, Prichard M, Mire CE, Kawaoka Y, Geisbert TW, Polyak SJ. The Synthetic Antiviral Drug Arbidol Inhibits Globally Prevalent Pathogenic Viruses. J Virol. 2016 Jan 6. pii: JVI.02077-15. [Epub ahead of print] PubMed PMID: 26739045. 3: Surov AO, Manin AN, Churakov AV, Perlovich GL. New Solid Forms of the Antiviral Drug Arbidol: Crystal Structures, Thermodynamic Stability, and Solubility. Mol Pharm. 2015 Nov 2;12(11):4154-65. doi: 10.1021/acs.molpharmaceut.5b00629. Epub 2015 Oct 19. PubMed PMID: 26479207.