艾培替尼 | 908305-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 艾培替尼
• 英文名称: Epertinib
• 英文别名: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(Z)-N-[[(3R)-morpholin-3-yl]methoxy]-C-prop-1-ynylcarbonimidoyl]quinazolin-4-amine
• CAS: 908305-13-5
• 化学式: C₃₀H₂₇ClFN₅O₃
• 分子量: 560.027
• InChiKey: IBCIAMOTBDGBJN-NRLRZRKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  89.9
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-(1-oxo-2-butyn-1-yl)quinazoline 生成 艾培替尼
  参考文献：
  名称：

  Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity

  摘要：

  提供了一种抑制EGF受体酪氨酸激酶和HER2酪氨酸激酶的化合物。该化合物由通式（I）表示：其中RX是由以下式子表示的基团：其中R1是氢原子，可选取代烷基等；Z是—O—，—N（R10）—等；R10是氢原子，烷基等；R2是氢原子，可选取代烷基等；R18是氢原子，可选取代烷基等；R19是可选取代烷基等；W1是可选取代非芳香族含氮基团；R17是氢原子，可选取代烷基等；R3和R4分别是氢原子，可选取代烷基等；X是—O—，—S—或—N（R12）—等；R12是氢原子，烷基等；A是苯基，可选取代基等，其药物可接受的盐或其溶剂化合物。

  公开号：

  US20090143414A1

文献信息

• SALTS OF QUINAZOLINE DERIVATIVE OR CRYSTALS THEREOF, AND THE PROCESS FOR PRODUCING THEREOF
  申请人：Shionogi & Co., Ltd.

  公开号：US20180215744A1

  公开（公告）日：2018-08-02

  Crystals of a quinazoline derivative are provided. The present invention relates to an acid addition salt of a compound represented by Formula (I): a pharmaceutical composition containing it, and the like.

  提供了一种喹唑啉衍生物的晶体。本发明涉及一种由公式（I）表示的化合物的酸加成盐，以及含有它的药物组合物等。
• PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE
  申请人：Hagihara Motoyuki

  公开号：US20110257391A1

  公开（公告）日：2011-10-20

  A process for preparing a compound (III) is provided, in which the compound (III) is prepared from a methoxycarbonyl derivative through a methoxyamide derivative. These two reaction steps are continuously carried out and substantially the same as one step. The compound (III) is useful as a synthetic intermediate for preparing a dual tyrosine kinase inhibitor and can be conveniently prepared in high yield according to the present invention.

  提供了一种制备化合物(III)的方法，其中化合物(III)是通过甲氧羰基衍生物经甲氧酰胺衍生物制备的。这两个反应步骤是连续进行的，并且基本上相当于一步。该化合物(III)可用作制备双重酪氨酸激酶抑制剂的合成中间体，并且可以根据本发明方便地高产率地制备。
• Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity
  申请人：Kume Masaharu

  公开号：US20090143414A1

  公开（公告）日：2009-06-04

  A compound which inhibits both of EGF receptor tyrosine kinase and HER2 tyrosine kinase is provided. A compound represented by the general formula (I): wherein R X is a group represented by the formula: wherein R 1 is a hydrogen atom, optionally substituted alkyl, etc.; Z is —O—, —N(R 10 )—, etc.; R 10 is a hydrogen atom, alkyl, etc.; R 2 is a hydrogen atom, optionally substituted alkyl, etc.; R 18 is a hydrogen atom, optionally substituted alkyl, etc.; R 19 is optionally substituted alkyl, etc.; W 1 is an optionally substituted non-aromatic nitrogen-containing group; R 17 is a hydrogen atom, optionally substituted alkyl, etc.; R 3 and R 4 are independently a hydrogen atom, optionally substituted alkyl, etc.; X is —O—, —S—, or —N(R 12 )—, etc.; R 12 is a hydrogen atom, alkyl, etc.; and A is phenyl optionally having a substituent, etc., its pharmaceutically acceptable salt, or a solvate thereof.

  提供了一种抑制EGF受体酪氨酸激酶和HER2酪氨酸激酶的化合物。该化合物由通式（I）表示：其中RX是由以下式子表示的基团：其中R1是氢原子，可选取代烷基等；Z是—O—，—N（R10）—等；R10是氢原子，烷基等；R2是氢原子，可选取代烷基等；R18是氢原子，可选取代烷基等；R19是可选取代烷基等；W1是可选取代非芳香族含氮基团；R17是氢原子，可选取代烷基等；R3和R4分别是氢原子，可选取代烷基等；X是—O—，—S—或—N（R12）—等；R12是氢原子，烷基等；A是苯基，可选取代基等，其药物可接受的盐或其溶剂化合物。
• SALT OF QUINAZOLINE DERIVATIVE OR CRYSTAL THEREOF, AND METHOD FOR PRODUCING SALT OF QUINAZOLINE DERIVATIVE OR CRYSTAL THEREOF
  申请人：Shionogi & Co., Ltd.

  公开号：EP3330267A1

  公开（公告）日：2018-06-06

  Crystals of a quinazoline derivative are provided. The present invention relates to an acid addition salt of a compound represented by Formula (I): a pharmaceutical composition containing it, and the like.

  本发明提供了一种喹唑啉衍生物的晶体。本发明涉及一种由式（I）代表的化合物的酸加成盐： 以及含有该化合物的药物组合物。
• Solid dosage form containing quinazoline derivative
  申请人：Shionogi & Co., Ltd.

  公开号：US10953016B2

  公开（公告）日：2021-03-23

  The present invention provides a formulation containing the compound represented by formula (I) or a pharmaceutically acceptable salt thereof, or their crystals, with a light-stabilizing substance and a polymer, particularly with one or more of titanium oxide and talc used as the light-stabilizing substance, and hypromellose used as the polymer, which hardly increase the amount of the related substances, and the formulation is hardly colored under light irradiation.

  本发明提供了一种含有式（I）代表的化合物或其药学上可接受的盐，或它们的晶体，与光稳定物质和聚合物，特别是氧化钛和滑石粉中的一种或多种用作光稳定物质，以及低聚果糖用作聚合物的制剂，几乎不增加相关物质的用量，并且该制剂在光照射下几乎不着色。