Elsulfavirine
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MedKoo CAT#: 561112

CAS#: 868046-19-9 (free base)

Description: Elsulfavirine is a new-generation non-nucleoside reverse transcriptase inhibitor (NNRTI) being developed by Viriom for the treatment and prevention of human immunodeficiency virus (HIV) infections. It is the prodrug of the active compound VM-1500A, a small molecule selective NNRTI, which prevents HIV replication. In June 2017, elsulfavirine received its first global approval in Russia for the treatment of HIV-1 infections in combination with other antiretroviral medicines. Other formulations of this drug are also being evaluated in preclinical and phase II studies for the treatment of HIV infections and/or pre-exposure and post-exposure prophylaxis.

Chemical Structure

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Elsulfavirine
CAS# 868046-19-9 (free base)
Instruction

Theoretical Analysis

MedKoo Cat#: 561112
Name: Elsulfavirine
CAS#: 868046-19-9 (free base)
Chemical Formula: C24H17BrCl2FN3O5S
Exact Mass: 626.94
Molecular Weight: 629.280
Elemental Analysis: C, 45.81; H, 2.72; Br, 12.70; Cl, 11.27; F, 3.02; N, 6.68; O, 12.71; S, 5.09

Price and Availability

Size Price Availability Quantity
50mg USD 950 2 Weeks
100mg USD 1650 2 Weeks
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Related CAS #: 868046-19-9 (free base)   867365-40-0 (sodium)  

Synonym: Elsulfavirine; Elpida.

IUPAC/Chemical Name: N-(4-{2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetamido}-3-chlorobenzenesulfonyl)propanamide

InChi Key: ULTDEARCBRNRGR-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)

SMILES Code: CCC(NS(=O)(C1=CC=C(NC(CC2=CC=C(Br)C(OC3=CC(C#N)=CC(Cl)=C3)=C2F)=O)C(Cl)=C1)=O)=O

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 629.28 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: Al-Salama ZT. Elsulfavirine: First Global Approval. Drugs. 2017 Oct;77(16):1811-1816. doi: 10.1007/s40265-017-0820-3. PMID: 28940154.


2: Li G, Wang Y, De Clercq E. Approved HIV reverse transcriptase inhibitors in the past decade. Acta Pharm Sin B. 2022 Apr;12(4):1567-1590. doi: 10.1016/j.apsb.2021.11.009. Epub 2021 Nov 16. Erratum in: Acta Pharm Sin B. 2023 Aug;13(8):3581. PMID: 35847492; PMCID: PMC9279714.


3: Supuran CT, Nocentini A, Yakubova E, Savchuk N, Kalinin S, Krasavin M. Biochemical profiling of anti-HIV prodrug Elsulfavirine (Elpida®) and its active form VM1500A against a panel of twelve human carbonic anhydrase isoforms. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1056-1060. doi: 10.1080/14756366.2021.1927007. PMID: 34000969; PMCID: PMC8143618.


4: Rai MA, Pannek S, Fichtenbaum CJ. Emerging reverse transcriptase inhibitors for HIV-1 infection. Expert Opin Emerg Drugs. 2018 Jun;23(2):149-157. doi: 10.1080/14728214.2018.1474202. Epub 2018 May 10. PMID: 29737220; PMCID: PMC6158299.


5: Wang Y, De Clercq E, Li G. Current and emerging non-nucleoside reverse transcriptase inhibitors (NNRTIs) for HIV-1 treatment. Expert Opin Drug Metab Toxicol. 2019 Oct;15(10):813-829. doi: 10.1080/17425255.2019.1673367. Epub 2019 Oct 17. PMID: 31556749.


6: Singh AK, Kumar A, Arora S, Kumar R, Verma A, Khalilullah H, Jaremko M, Emwas AH, Kumar P. Current insights and molecular docking studies of HIV-1 reverse transcriptase inhibitors. Chem Biol Drug Des. 2023 Oct 10. doi: 10.1111/cbdd.14372. Epub ahead of print. PMID: 37817296.


7: Battini L, Bollini M. Challenges and approaches in the discovery of human immunodeficiency virus type-1 non-nucleoside reverse transcriptase inhibitors. Med Res Rev. 2019 Jul;39(4):1235-1273. doi: 10.1002/med.21544. Epub 2018 Nov 11. PMID: 30417402.