ChemicalBook > CAS DataBase List > (3S,8R,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 1,14-DiMethyl Ester

(3S,8R,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 1,14-DiMethyl Ester

Product Name
(3S,8R,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 1,14-DiMethyl Ester
CAS No.
1292296-09-3
Chemical Name
(3S,8R,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 1,14-DiMethyl Ester
Synonyms
8-epi Atazanavir;(R,S,R,R)-Atazanavir;Atazanavir IMpurity 1;Atazanavir EP Impurity 5;"(3S,8R,9S,12S) Atazanavir";Atazanavir S,R,S,S-diastereomer;Atazanavir (3S,8R,9S,12S)-Isomer (USP);Atazanavir Impurity 7（(3S,8R,9S,12S)-Atazanavir）;Atazanavir Impurity 7 (Atazanavir EP Impurity E);Atazanavir (3S,8R,9S,12S)-Isomer (8-epi Atazanavir)
CBNumber
CB52621592
Molecular Formula
C38H52N6O7
Formula Weight
704.86
MOL File
1292296-09-3.mol
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(3S,8R,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 1,14-DiMethyl Ester Property

Density 
1.178±0.06 g/cm3(Predicted)
pka
11.11±0.46(Predicted)
InChIKey
AXRYRYVKAWYZBR-SYEZAVJTSA-N
SMILES
C(OC)(=O)N[C@@H](C(C)(C)C)C(=O)NN(CC1=CC=C(C2=NC=CC=C2)C=C1)C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)(C)C)NC(OC)=O
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC
Product number
A790055
Product name
8-epiAtazanavir
Packaging
50mg
Price
$1540
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
INB0002698
Product name
ATAZANAVIR IMPURITY-1
Purity
95.00%
Packaging
5MG
Price
$505.19
Updated
2021/12/16
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(3S,8R,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 1,14-DiMethyl Ester Chemical Properties,Usage,Production

Uses

An epimeric impurity of Atazanavir, novel azapeptide HIV protease inhibitor.

(3S,8R,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 1,14-DiMethyl Ester Preparation Products And Raw materials

Raw materials

Preparation Products

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(3S,8R,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 1,14-DiMethyl Ester Suppliers

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1292296-09-3, (3S,8R,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 1,14-DiMethyl EsterRelated Search:

Atazanavir Impurity 8 Methoxycarbonyl-L-tert-leucine Atazanavir Impurity Atazanavir Atazanavir Impurity 7 Atazanavir D6 Des(benzylpyridyl) Atazanavir Atazanavir Impurity 6 (3R,8S,9S,12R)-Atazanavir Des-N-(methoxycarbonyl)-L-tert-leucine Atazanavir Trihydrochloride Atazanavir Impurity 14 Atazanavir sulfate Atazanavir IMpurity 4 Atazanavir Sulfate Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir tert-Butyl 2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate Atazanavir IMpurity 3 Atazanavir S,S,R,S-Diastereomer (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane

  • Atazanavir S,R,S,S-diastereomer
  • Atazanavir (3S,8R,9S,12S)-Isomer (USP)
  • Atazanavir IMpurity 1
  • 8-epi Atazanavir
  • Atazanavir Impurity 7（(3S,8R,9S,12S)-Atazanavir）
  • methyl N-[(2S)-1-[2-[(2R,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
  • (R,S,R,R)-Atazanavir
  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8R,9S,12S)-
  • Atazanavir Intermediate (Crude): (AZS-3)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-pentaazatetra decanedioic acid dimethyl ester (AZS3) (For Atazanavir pure API).
  • Atazanavir (3S,8R,9S,12S)-Isomer (8-epi Atazanavir)
  • "(3S,8R,9S,12S) Atazanavir"
  • (3S,8R,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
  • (3S,8R,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 1,14-DiMethyl Ester
  • Atazanavir EP Impurity 5
  • Atazanavir Impurity 7 (Atazanavir EP Impurity E)
  • 1292296-09-3
  • Chiral Reagents
  • Impurities
  • Inhibitors
  • Intermediates & Fine Chemicals
  • Pharmaceuticals