mozenavir | 174391-92-5

• 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: mozenavir
• 英文别名: [4R-(4α,5α,6β,7β)]hexahydro-5,6-dihydroxy-1,3-bis[((3-amino-phenyl)methyl)-4,7-bis(phenyl-methyl)]-2H-1,3-diazepin-2-one；DMP-450；(4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
• CAS: 174391-92-5
• 化学式: C₃₃H₃₆N₄O₃
• 分子量: 536.674
• InChiKey: KYRSNWPSSXSNEP-ZRTHHSRSSA-N

物化性质

• 沸点：
  786.8±60.0 °C(Predicted)
• 密度：
  1.294±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  mozenavir 在 硫酸 、 copper(II) sulfate 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 生成 (4R,5S,6S,7R)-1,3-bis(1,3-benzothiazol-5-ylmethyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
  参考文献：
  名称：

  Potent cyclic urea HIV protease inhibitors with benzofused heterocycles as P2/P2′ groups

  摘要：

  A series of benzofused heterocycles was examined to replace the metabolically unstable benzyl alcohol P2/P2' groups of DMP 323 (1). Extremely potent inhibitors of HIV protease (Ki < 0.01 nM) and excellent antiviral activity (IC90 = 8 nM) were found. An X-ray crystal structure of benzimidazolone 5a bound to HIV protease showed H-bonds to Asp30 and a bridging water molecule to Gly48. Copyright (C) 1996 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00531-8
• 作为产物：
  描述：

  (3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyl-5,7-bis[(3-nitrophenyl)methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 mozenavir
  参考文献：
  名称：

  Potent cyclic urea HIV protease inhibitors with benzofused heterocycles as P2/P2′ groups

  摘要：

  A series of benzofused heterocycles was examined to replace the metabolically unstable benzyl alcohol P2/P2' groups of DMP 323 (1). Extremely potent inhibitors of HIV protease (Ki < 0.01 nM) and excellent antiviral activity (IC90 = 8 nM) were found. An X-ray crystal structure of benzimidazolone 5a bound to HIV protease showed H-bonds to Asp30 and a bridging water molecule to Gly48. Copyright (C) 1996 The DuPont Merck Pharmaceutical Company. Published by Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00531-8

文献信息

• Retroviral protease inhibitor combinations
  申请人：G.D. Searle

  公开号：US20030207813A1

  公开（公告）日：2003-11-06

  The present invention is directed to a method for the treatment of mammalian retrovirus infections, such as HIV, using combinations of retroviral protease inhibitors which are effective in preventing the replication of the retroviruses in vitro or in vivo. This invention, in particular, relates to protease inhibitor compounds used in combination therapy with other protease inhibitor compounds. This invention also relates to combination therapy with a combination of protease inhibitors and antiviral agents other than protease inhibitors.

  本发明涉及一种治疗哺乳动物逆转录病毒感染（如HIV）的方法，使用有效防止逆转录病毒在体外或体内复制的逆转录病毒蛋白酶抑制剂的组合。该发明特别涉及与其他蛋白酶抑制剂化合物联合治疗使用的蛋白酶抑制剂化合物。该发明还涉及与蛋白酶抑制剂以外的其他抗病毒剂联合治疗的组合疗法。
• Solid pharmaceutical dosage form
  申请人：Abbott Laboratories

  公开号：US08268349B2

  公开（公告）日：2012-09-18

  A solid pharmaceutical dosage form providing improved oral bioavailability is disclosed for inhibitors of HIV protease. In particular, the dosage form comprises a solid dispersion of at least one HIV protease inhibitor and at least one pharmaceutically acceptable water-soluble polymer and at least one pharmaceutically acceptable surfactant, said pharmaceutically acceptable water-soluble polymer having a Tg of at least about 50° C. Preferably, the pharmaceutically acceptable surfactant has an HLB value of from about 4 to about 10.

  本发明揭示了一种提供改善口服生物利用度的固体制剂，用于HIV蛋白酶抑制剂。特别地，该制剂包括至少一种HIV蛋白酶抑制剂和至少一种药用可接受的水溶性聚合物以及至少一种药用可接受的表面活性剂的固态分散体，其中所述的药用可接受的水溶性聚合物具有至少约50°C的Tg。优选地，所述的药用可接受的表面活性剂具有约4至约10的HLB值。
• Solid Pharmaceutical Dosage Form
  申请人：Rosenberg Jöerg

  公开号：US20120202858A1

  公开（公告）日：2012-08-09

  A solid pharmaceutical dosage form providing improved oral bioavailability is disclosed for inhibitors of HIV protease. In particular, the dosage form comprises a solid dispersion of at least one HIV protease inhibitor and at least one pharmaceutically acceptable water-soluble polymer and at least one pharmaceutically acceptable surfactant, said pharmaceutically acceptable water-soluble polymer having a Tg of at least about 50° C. Preferably, the pharmaceutically acceptable surfactant has an HLB value of from about 4 to about 10.

  本发明揭示了一种用于HIV蛋白酶抑制剂的固体制剂，提供了改善口服生物利用度的效果。特别地，该剂型包括至少一种HIV蛋白酶抑制剂和至少一种药用可接受的水溶性聚合物以及至少一种药用可接受的表面活性剂的固体分散体，其中所述药用可接受的水溶性聚合物具有至少约50℃的Tg。优选地，所述药用可接受的表面活性剂的HLB值在约4到约10之间。
• Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents
  申请人：Cellvir

  公开号：EP2196453A1

  公开（公告）日：2010-06-16

  The present invention concerns novel substituted aryl derivatives, their process of preparation and their use for inhibiting integration and for treating viral diseases or disorders such as HIV.

  本发明涉及新型取代芳基衍生物、其制备过程及其用于抑制整合和治疗病毒性疾病或紊乱（如艾滋病毒）的用途。
• Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents
  申请人：Maziasz Timothy

  公开号：US20050026902A1

  公开（公告）日：2005-02-03

  The present invention provides compositions and methods for the treatment of human immunodeficiency virus (HIV) infection as well as HIV associated diseases and related disorders. More particularly, the invention provides a combination therapy for the treatment of HIV infection as well as HIV associated diseases and related disorders comprising the administration to a subject of an anti-human immunodeficiency virus agent in combination with a cyclooxygenase-2 selective inhibitor or an isomer or a pharmaceutically acceptable salt, ester, or prodrug thereof.

  本发明提供了治疗人类免疫缺陷病毒（HIV）感染以及HIV相关疾病和相关紊乱的组合物和方法。更具体地说，本发明提供了一种治疗HIV感染以及HIV相关疾病和相关紊乱的组合疗法，包括向受试者施用抗人类免疫缺陷病毒制剂与环氧化酶-2选择性抑制剂或其异构体或其药学上可接受的盐、酯或原药组合。