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

MedKoo CAT#: 529503

CAS#: 934740-33-7

Description: Nifeviroc is a CCR5 antagonist potentially for treatment of inflammatory responses to HIV type-1 infection

Chemical Structure

CAS# 934740-33-7

Theoretical Analysis

MedKoo Cat#: 529503
Name: Nifeviroc
CAS#: 934740-33-7
Chemical Formula: C33H42N4O6
Exact Mass: 590.3104
Molecular Weight: 590.721
Elemental Analysis: C, 67.10; H, 7.17; N, 9.48; O, 16.25

Price and Availability

Size Price Availability Quantity
25.0mg USD 950.0 2 Weeks
50.0mg USD 1650.0 2 Weeks
100.0mg USD 2650.0 2 Weeks
200.0mg USD 3650.0 2 Weeks
500.0mg USD 5650.0 2 Weeks
1.0g USD 7650.0 2 Weeks
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Related CAS #: 934740-33-7  

Synonym: TD-0232; TD0232; TD 0232; Nifeviroc

IUPAC/Chemical Name: 4-nitrobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate


InChi Code: InChI=1S/C33H42N4O6/c1-2-18-36(32(39)43-23-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)21-28-22-35(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1

SMILES Code: O=C(OCC1=CC=C([N+]([O-])=O)C=C1)N(C2CCN(C[C@H]3CN(C(C4CCCC4)=O)C[C@]3(O)C5=CC=CC=C5)CC2)CC=C

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

Product Data:

Biological target: Nifeviroc is an orally active CCR5 antagonist.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMSO 95.0 160.82

Preparing Stock Solutions

The following data is based on the product molecular weight 590.721 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: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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1: Wu W, Xie D, Cheng Z, Liu Z, Ran L, Gu Z, Yu P. Determination of nifeviroc, a novel CCR5 antagonist: application to a pharmacokinetic study. J Pharm Biomed Anal. 2011 Nov 1;56(3):637-40. doi: 10.1016/j.jpba.2011.06.027. PubMed PMID: 21802236.

2: Xu WF. China's new drug R&D is steadily advancing. Drug Discov Ther. 2007 Aug;1(1):3. PubMed PMID: 22504356.

3: Wang J, Shu M, Wang Y, Hu Y, Wang Y, Luo Y, Lin Z. Identification of potential CCR5 inhibitors through pharmacophore-based virtual screening, molecular dynamics simulation and binding free energy analysis. Mol Biosyst. 2016 Oct 18;12(11):3396-3406. PubMed PMID: 27714030.

4: Ben L, Jones ED, Zhou E, Li C, Baylis DC, Yu S, Wang M, He X, Coates JA, Rhodes DI, Pei G, Deadman JJ, Xie X, Ma D. Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents. Bioorg Med Chem Lett. 2010 Jul 15;20(14):4012-4. doi: 10.1016/j.bmcl.2010.05.102. PubMed PMID: 20561788.