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CAS No 198904-31-3 , 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

  • 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
  • Synonyms: Zrivada; 198904-31-3; Reyataz;Latazanavir; BMS-232632; CGP 73547; BMS 232632; 2aqu;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; atazanavirum;
  • CAS Registry Number:
  • Melting Point: 207-209 oC
  • Flash Point: °C
  • Boiling Point: °Cat760mmHg
  • Density: 1.178g/cm3
  • Refractive index: 1.562
  • Flash Point: °C
  • Molecular Weight: 704.85548
  • InchiKey: AXRYRYVKAWYZBR-GASGPIRDSA-N
  • InChI: 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)/t29-,30-,
    31+,32+/m0/s1
  • Molecular Formula: C38H52N6O7
  • Molecular Structure:CAS No:198904-31-3 methyl<br />N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,<br />3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)<br />methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

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References of 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
Title: Atazanavir
CAS Registry Number: 198904-31-3
CAS Name: (3S,8S,9S,12S)-3,12-Bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioic acid dimethyl ester
Synonyms: 1-[4-(pyridin-2-yl)phenyl]-5S-2,5-bis[[N-(methoxycarbonyl)-L-tert-leucinyl]amino]-4S-hydroxy-6-phenyl-2-azahexane
Manufacturers' Codes: BMS-232632; CGP-73547
Molecular Formula: C38H52N6O7
Molecular Weight: 704.86
Percent Composition: C 64.75%, H 7.44%, N 11.92%, O 15.89%
Literature References: Azapeptide HIV protease inhibitor. Prepn: A. F?ssler et al., WO 9740029; eidem, US 5849911 (1997, 1998 both to Novartis); G. Bold et al., J. Med. Chem. 41, 3387 (1998); of bisulfate salt: J. Singh et al., WO 9936404; eidem, US 6087383 (1999, 2000 both to Bristol-Myers Squibb); Z. Xu et al., Org. Process Res. Dev. 6, 323 (2002). Comparative anti-HIV activity: B. S. Robinson et al., Antimicrob. Agents Chemother. 44, 2093 (2000). HPLC determn in plasma: E. Cateau et al., J. Pharm. Biomed. Anal. 39, 791 (2005). Clinical evaluation in HIV: I. Sanne et al., J. Acquired Immune Defic. Synd. 32, 18 (2003). Review of pharmacology and clinical efficacy in HIV: C. Le Tiec et al., Clin. Pharmacokinet. 44, 1035-1050 (2005); T. S. Harrison, L. J. Scott, Drugs 65, 2309-2336 (2005).
Properties: Crystals from ethanol/water, mp 207-209°. [a]D -47° (c = 1 in ethanol). Insol in water (<1 mg/ml at 24°).
Melting point: mp 207-209°
Optical Rotation: [a]D -47° (c = 1 in ethanol)
 
Derivative Type: Sulfate
CAS Registry Number: 229975-97-7
Trademarks: Reyataz (BMS)
Molecular Formula: C38H52N6O7.H2SO4
Molecular Weight: 802.93
Percent Composition: C 56.84%, H 6.78%, N 10.47%, O 21.92%, S 3.99%
Properties: Crystals from ethanol + heptane, mp 195.0°, or acetone, mp 198-199° (dec). [a]D22 -46.1° (c = 1 in 1:1 CH3OH/H2O, pH = 2.6). Soly in water: 4-5 mg/ml.
Melting point: mp 195.0°, or acetone; mp 198-199° (dec)
Optical Rotation: [a]D22 -46.1° (c = 1 in 1:1 CH3OH/H2O, pH = 2.6)
 
Therap-Cat: Antiviral.
Keywords: Antiviral; Peptidomimetics.