WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 317254
CAS#: 198904-31-3 (free base)
Description: Atazanavir is an antiretroviral drug of the protease inhibitor (PI) class. It is sold under the trade name Reyataz. Like other antiretrovirals, it is used to treat infection of human immunodeficiency virus. Atazanavir is distinguished from other PIs in that it can be given once-daily and has lesser effects on the patient's lipid profile. Like other protease inhibitors, it is used only in combination with other HIV medications.
MedKoo Cat#: 317254
Name: Atazanavir
CAS#: 198904-31-3 (free base)
Chemical Formula: C38H52N6O7
Exact Mass: 704.38975
Molecular Weight: 704.86
Elemental Analysis: C, 64.75; H, 7.44; N, 11.92; O, 15.89
Related CAS #: 229975-97-7 (sulfate) 198904-31-3 (free base)
Synonym: Atazanavir; 198904-31-3; Latazanavir; Zrivada; BMS-232632; Reyataz;
IUPAC/Chemical Name: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
InChi Key: AXRYRYVKAWYZBR-UHFFFAOYSA-N
InChi Code: InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)
SMILES Code: CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
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, not in water
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
The following data is based on the product molecular weight 704.86 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.
| 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: Chitturi SR, Somannavar YS, Peruri BG, Nallapati S, Sharma HK, Budidet SR, Handa VK, Vurimindi HB. Gradient RP-HPLC method for the determination of potential impurities in atazanavir sulfate. J Pharm Biomed Anal. 2011 Apr 28;55(1):31-47. doi: 10.1016/j.jpba.2011.01.002. Epub 2011 Jan 19. PubMed PMID: 21316175.
Related:
198904-31-3(Atazanavir)
229975-97-7(Atazanavir sulfate).
