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Compound 120
- Atazanavir, deuterated - CTP 518
- Parent CAS: 1092540-56-1
- Optical Purity: Optically pure
- Soluble in DMSO
- MF: C38H37D15N6O7.H2O4S
- MW: 818.03
Description
A partially deuterated analog of Atazanavir (Axon 1441), an oral HIV protease inhibitor; A deuterium-containing medicine with improved ADME properties; Compound 120 showed an approximately 50% increase in half life compared with Atazanavir.
More Information
| Parent CAS No. | 1092540-56-1 |
|---|---|
| Chemical Name | (3S,8S,9S,12S)-3-(1,1-dimethylethyl)-12-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-Pentaazatetradecanedioic acid, 1,14-di(methyl-d3) ester sulfate |
| SMILES | C([2H])([2H])([2H])OC(=O)N[C@@H](C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)N[C@@H](CC1C=CC=CC=1)[C@@H](O)CN(CC1C=CC(C2C=CC=CN=2)=CC=1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC([2H])([2H])[2H].S(O)(O)(=O)=O |&1:8,25,33,53,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C38H52N6O7.H2O4S/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;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1/i1D3,2D3,3D3,7D3,8D3; |
| InChiKey | DQSGVVGOPRWTKI-SONXIFHOSA-N |
| CID | 91826481 |
| Short Description | Protease inhibitor |
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