1,14-dimethyl (3S,8S,9S,12S)-3,12-bis[(1,1-dimethylethyl)-d9]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate | 1092540-52-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,14-dimethyl (3S,8S,9S,12S)-3,12-bis[(1,1-dimethylethyl)-d9]-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate
• 英文别名: Atazanavir-d18；methyl N-[(2S)-4,4,4-trideuterio-1-[[(2S,3S)-3-hydroxy-1-phenyl-4-[(4-pyridin-2-ylphenyl)methyl-[[(2S)-4,4,4-trideuterio-2-(methoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]amino]butan-2-yl]amino]-1-oxo-3,3-bis(trideuteriomethyl)butan-2-yl]carbamate
• CAS: 1092540-52-7
• 化学式: C₃₈H₅₂N₆O₇
• 分子量: 722.724
• InChiKey: AXRYRYVKAWYZBR-AAPVVJSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  51
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• Azapeptide derivatives as HIV protease inhibitors
  申请人：Concert Pharmaceuticals Inc.

  公开号：EP2322509A1

  公开（公告）日：2011-05-18

  This invention relates to novel compounds that are azapeptides, and pharmaceutically acceptable salts thereof. More specifically, the invention relates to novel azapeptide compounds that are derivatives of the HIV protease inhibitor atazanavir sulfate. This invention also provides pyrogen-free compositions comprising one or more compounds of the invention and a carrier, and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are treated by administering HIV protease inhibitors. The invention also relates to the use of one or more of the disclosed compounds as reagents in analytical studies involving atazanavir.

  本发明涉及新型偶氮肽化合物及其药学上可接受的盐类。更具体地说，本发明涉及新型氮肽化合物，它们是 HIV 蛋白酶抑制剂硫酸阿扎那韦的衍生物。本发明还提供了包含一种或多种本发明化合物和载体的无热原组合物，以及所公开的化合物和组合物在治疗通过施用HIV蛋白酶抑制剂来治疗的疾病和病症的方法中的用途。本发明还涉及一种或多种已公开化合物在涉及阿扎那韦的分析研究中作为试剂的用途。
• Azapeptide Derivatives
  申请人：Harbeson Scott L.

  公开号：US20110009355A1

  公开（公告）日：2011-01-13

  This invention relates to novel compounds that are azapeptides, and pharmaceutically acceptable salts thereof. More specifically, the invention relates to novel azapeptide compounds that are derivatives of the HIV protease inhibitor atazanavir sulfate. This invention also provides pyrogen-free compositions comprising one or more compounds of the invention and a carrier, and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are treated by administering HIV protease inhibitors. The invention also relates to the use of one or more of the disclosed compounds as reagents in analytical studies involving atazanavir.
• AZAPEPTIDE DERIVATIVES
  申请人：Harbeson Scott L.

  公开号：US20130041156A1

  公开（公告）日：2013-02-14

  This invention relates to novel compounds that are azapeptides, and pharmaceutically acceptable salts thereof. More specifically, the invention relates to novel azapeptide compounds that are derivatives of the HIV protease inhibitor atazanavir sulfate. This invention also provides pyrogen-free compositions comprising one or more compounds of the invention and a carrier, and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are treated by administering HIV protease inhibitors. The invention also relates to the use of one or more of the disclosed compounds as reagents in analytical studies involving atazanavir.
• US8158805B2
  申请人：——

  公开号：US8158805B2

  公开（公告）日：2012-04-17
• US8258309B2
  申请人：——

  公开号：US8258309B2

  公开（公告）日：2012-09-04