5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methoxybenzamide | 872454-29-0

• 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: 5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methoxybenzamide
• CAS: 872454-29-0
• 化学式: C₅₆H₇₉N₂₁O₁₂
• 分子量: 1238.38
• InChiKey: LZDLWYNCKNONQT-JUFVCXMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  89
• 可旋转键数：
  35
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  567
• 氢给体数：
  17
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  在 三异丙基硅烷 、 水 、 三氟乙酸 作用下， 反应 1.0h， 以0.379 g的产率得到5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methoxybenzamide
  参考文献：
  名称：

  Compounds for use in treatment of mucostitis

  摘要：

  本发明提供了一种用于治疗和/或预防粘膜炎的方法，其中使用本文披露的一个或多个化合物或其药学上可接受的盐，或包含相同化合物的组合物。

  公开号：

  US09155738B2

文献信息

• Compounds for use in treatment of mucositis
  申请人：Innovation Pharmaceuticals Inc.

  公开号：US10206894B2

  公开（公告）日：2019-02-19

  The present invention provides methods for treating and/or preventing mucositis with one or more compounds, or pharmaceutically acceptable salts thereof, disclosed herein, or compositions comprising the same.

  本发明提供了用本文公开的一种或多种化合物或其药学上可接受的盐，或包含这些化合物的组合物治疗和/或预防粘膜炎的方法。
• Anti-Heparin Compounds
  申请人：Scott Richard W.

  公开号：US20110178104A1

  公开（公告）日：2011-07-21

  The present invention provides compounds and methods for antagonizing the anticoagulant effect of an anticoagulant agent that is selected from UFH, LMWH, and a heparin/LMWH derivative in a patient comprising administering to the patient a compound of the invention or a salt thereof, or a composition comprising the same.
• COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS
  申请人：Cellceutix Corporation

  公开号：US20140364364A1

  公开（公告）日：2014-12-11

  The present invention provides methods for treating and/or preventing mucostitis with one or more compounds, or pharmaceutically acceptable salts thereof, disclosed herein, or compositions comprising the same.
• Compounds for use in Treatment of Mucostis
  申请人：Cellceutix Corporation

  公开号：US20160213668A1

  公开（公告）日：2016-07-28

  The present invention provides methods for treating and/or preventing mucostitis with one or more compounds, or pharmaceutically acceptable salts thereof, disclosed herein, or compositions comprising the same.
• Compounds For Use In Treatment Of Mucositis
  申请人：Cellceutix Corporation

  公开号：US20170224640A1

  公开（公告）日：2017-08-10

  The present invention provides methods for treating and/or preventing mucostitis with one or more compounds, or pharmaceutically acceptable salts thereof, disclosed herein, or compositions comprising the same.