MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 503850 | Name: Depulfavirine
Featured New

Description:

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

Depulfavirine, also known as Ro 0335; is a non-nucleoside reverse transcriptase inhibitor (NNRTI) and an active metabolite of the antiviral prodrug elsulfavirine.

Chemical Structure

Depulfavirine
Depulfavirine
CAS#867365-76-2

Theoretical Analysis

MedKoo Cat#: 503850

Name: Depulfavirine

CAS#: 867365-76-2

Chemical Formula: C21H13BrCl2FN3O4S

Exact Mass: 570.9171

Molecular Weight: 573.22

Elemental Analysis: C, 44.00; H, 2.29; Br, 13.94; Cl, 12.37; F, 3.31; N, 7.33; O, 11.16; S, 5.59

Price and Availability

Size Price Availability Quantity
25mg USD 350.00 2 Weeks
50mg USD 550.00 2 Weeks
100mg USD 950.00 2 Weeks
200mg USD 1,750.00 2 Weeks
500mg USD 2,850.00 2 Weeks
1g USD 3,950.00 2 Weeks
2g USD 6,950.00 2 Weeks
Show More
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
RO0335 RO-0335 RO 0335; depulfavirine; VM 1500A; VM-1500A; VM1500A;
IUPAC/Chemical Name
2-(4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)-N-(2-chloro-4-sulfamoylphenyl)acetamide
InChi Key
SBUUICLVCQQMFP-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H13BrCl2FN3O4S/c22-16-3-1-12(20(25)21(16)32-14-6-11(10-26)5-13(23)8-14)7-19(29)28-18-4-2-15(9-17(18)24)33(27,30)31/h1-6,8-9H,7H2,(H,28,29)(H2,27,30,31)
SMILES Code
O=C(NC1=CC=C(S(=O)(N)=O)C=C1Cl)CC2=CC=C(Br)C(OC3=CC(C#N)=CC(Cl)=C3)=C2F
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
>5 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
         
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Ro 0335 inhibits HIV-1 reverse transcriptase in a cell-free assay and the replication of HIV-1 in MT-4 cells (IC50s = 8.1 and 1.1 nM, respectively). Ro 0335 selectively inhibits human carbonic anhydrase VII (CAVII; Ki = 9.7 nM) over human CAI and CAIII-VI (Kis = >125 nM for all) but also inhibits human CAII, CAIX, CAXII, CAXIII, and CAXIV (Kis = 35.5, 72.1, 62.3, 52.2, and 15.4 nM, respectively).
In vitro activity:
Patterns containing F227C or quadruple mutations selected by RO-0335 showed a low relative fitness value when compared to wild-type HXB2D. Two pathways to loss of susceptibility to RO-0335 were observed, containing patterns of amino acid changes at either V106I/A plus F227C or V106I/Y188L. Reference: Antiviral Res. 2010 May;86(2):212-9. https://pubmed.ncbi.nlm.nih.gov/20219553/
In vivo activity:
To be determined
Solvent mg/mL mM
Solubility
DMSO 250.0 436.13
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 573.22 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:
1. Javanbakht H, Ptak RG, Chow E, Yan JM, Russell JD, Mankowski MK, Hogan PA, Hogg JH, Vora H, Hang JQ, Li Y, Su G, Paul A, Cammack N, Klumpp K, Heilek G. In vitro resistance development for RO-0335, a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Antiviral Res. 2010 May;86(2):212-9. doi: 10.1016/j.antiviral.2010.02.323. Epub 2010 Feb 26. PMID: 20219553. 2. 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.
In vitro protocol:
1. Javanbakht H, Ptak RG, Chow E, Yan JM, Russell JD, Mankowski MK, Hogan PA, Hogg JH, Vora H, Hang JQ, Li Y, Su G, Paul A, Cammack N, Klumpp K, Heilek G. In vitro resistance development for RO-0335, a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Antiviral Res. 2010 May;86(2):212-9. doi: 10.1016/j.antiviral.2010.02.323. Epub 2010 Feb 26. PMID: 20219553. 2. 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.
In vivo protocol:
To be determined
Javanbakht H, Ptak RG, Chow E, Yan JM, Russell JD, Mankowski MK, Hogan PA, Hogg JH, Vora H, Hang JQ, Li Y, Su G, Paul A, Cammack N, Klumpp K, Heilek G. In vitro resistance development for RO-0335, a novel diphenylether nonnucleoside reverse transcriptase inhibitor. Antiviral Res. 2010 May;86(2):212-9. doi: 10.1016/j.antiviral.2010.02.323. Epub 2010 Feb 26. PMID: 20219553.