Nα-(methoxycarbonyl)-β-phenyl-N-(2-{2-[(2R,5R,6S)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}phenyl)-L-phenylalaninamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Nα-(methoxycarbonyl)-β-phenyl-N-(2-{2-[(2R,5R,6S)-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}phenyl)-L-phenylalaninamide
• 英文别名: methyl N-[(1S)-1-benzhydryl-2-oxo-2-[2-[2-[(2R,5R,6S)-6-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]ethyl]carbamate；methyl N-[(2S)-1-oxo-3,3-diphenyl-1-[2-[2-[(2R,5R,6S)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]propan-2-yl]carbamate
• 化学式: C₄₁H₄₂F₃N₇O₇S
• 分子量: 833.888
• InChiKey: QZHYPLRZQRAVJL-VPALJFQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  59
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  204
• 氢给体数：
  4
• 氢受体数：
  15

文献信息

• [EN] HIV PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTÉASE DU VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2015095276A1

  公开（公告）日：2015-06-25

  The present invention is directed to 2,5,6-substituted morpholine derivatives and their use in the inhibition of HIV protease, the inhibition of HIV replication, the prophylaxis of infection by HIV, the treatment of infection by HIV, and the prophylaxis, treatment, and delay in the onset or progression of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  本发明涉及2,5,6-取代吗啡啶衍生物及其在抑制HIV蛋白酶、抑制HIV复制、预防HIV感染、治疗HIV感染以及预防、治疗和延缓艾滋病发作或进展中的用途。这些化合物及其盐可用作药物组合物中的成分，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• HIV PROTEASE INHIBITORS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20160311786A1

  公开（公告）日：2016-10-27

  The present invention is directed to 2,5,6-substituted morpholine derivatives and their use in the inhibition of HIV protease, the inhibition of HIV replication, the prophylaxis of infection by HIV, the treatment of infection by HIV, and the prophylaxis, treatment, and delay in the onset or progression of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.
• US9834526B2
  申请人：——

  公开号：US9834526B2

  公开（公告）日：2017-12-05