4-(3,5-bis-[(S)-2-eth-(E)-ylidene-7-methoxy-1,2,3,11a-tetrahydro-pyrrolo[2,1-c][1,4]benzodiazepin-5-one-8-yloxymethyl]-phenoxy)-butyric acid | 1107630-90-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4-(3,5-bis-[(S)-2-eth-(E)-ylidene-7-methoxy-1,2,3,11a-tetrahydro-pyrrolo[2,1-c][1,4]benzodiazepin-5-one-8-yloxymethyl]-phenoxy)-butyric acid
• 英文别名: 4-[3,5-bis[[(6aS,8E)-8-ethylidene-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenoxy]butanoic acid
• CAS: 1107630-90-9
• 化学式: C₄₂H₄₄N₄O₉
• 分子量: 748.833
• InChiKey: PCHQTXQYBLYRFK-LGDUSSCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  55
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  149
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-(3,5-bis-[(S)-2-eth-(E)-ylidene-7-methoxy-1,2,3,11a-tetrahydro-pyrrolo[2,1-c][1,4]benzodiazepin-5-one-8-yloxymethyl]-phenoxy)-butyric acid methyl ester 在 甲醇 、 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 生成 4-(3,5-bis-[(S)-2-eth-(E)-ylidene-7-methoxy-1,2,3,11a-tetrahydro-pyrrolo[2,1-c][1,4]benzodiazepin-5-one-8-yloxymethyl]-phenoxy)-butyric acid
  参考文献：
  名称：

  Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use

  摘要：

  公开号：

  EP2019104B1

文献信息

• CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE
  申请人：Bouchard Hervé

  公开号：US20100316656A1

  公开（公告）日：2010-12-16

  The invention relates to novel tomaymicine derivatives comprising a linker. It also relates to the conjugate molecules that comprise one or more of said tomaymicine derivatives covalently linked to a cell binding agent through a linking group that is present on the linker of the tomaymycin derivative. It also relates to the preparation of the tomaymicine derivatives and of the conjugate molecules.

  本发明涉及一种新型的含有连接器的托马伊霉素衍生物。它还涉及到包含一种或多种上述托马伊霉素衍生物的共轭分子，该共轭分子通过位于托马伊霉素衍生物连接器上的连接基与细胞结合剂共价连接。它还涉及到托马伊霉素衍生物和共轭分子的制备。
• US8404678B2
  申请人：——

  公开号：US8404678B2

  公开（公告）日：2013-03-26
• [EN] CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE<br/>[FR] AGENTS CYTOTOXIQUES COMPRENANT DE NOUVEAUX DÉRIVÉS DE LA TOMAYMYCINE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：SANOFI AVENTIS

  公开号：WO2009016516A2

  公开（公告）日：2009-02-05

  The invention relates to novel tomaymicine derivatives comprising a linker. It also relates to the conjugate molecules that comprise one or more of said tomaymicine derivatives covalently linked to a cell binding agent through a linking group that is present on the linker of the tomaymycin derivative. It also relates to the preparation of the tomaymicine derivatives and of the conjugate molecules.
• Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use
  申请人：SANOFI

  公开号：EP2019104B1

  公开（公告）日：2013-09-04