Atazanavir
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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.


Chemical Structure

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Atazanavir
CAS# 198904-31-3 (free base)

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
50.0mg USD 750.0 2 Weeks
100.0mg USD 1250.0 2 Weeks
200.0mg USD 1950.0 2 Weeks
500.0mg USD 2450.0 2 Weeks
1.0g USD 3650.0 2 Weeks
2.0g USD 5950.0 2 Weeks
5.0g USD 9650.0 2 Weeks
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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

Preparing Stock Solutions

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.

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

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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.



Additional Information

Related:
198904-31-3(Atazanavir)
229975-97-7(Atazanavir sulfate).