1-(5-溴噻吩-2-基)乙烷-1-胺盐酸 | 2137783-98-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-(5-溴噻吩-2-基)乙烷-1-胺盐酸
• 英文名称: 1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
• 英文别名: 1-(5-bromothiophen-2-yl)ethanamine;hydrochloride
• CAS: 2137783-98-1
• 化学式: C₆H₈BrNS*ClH
• 分子量: 242.567
• InChiKey: ZGWRLJDOXYAZRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-[(E)-(5-bromothiophen-2-yl)methylidene]-2-methylpropane-2-sulfinamide 在 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 3.0h， 生成 1-(5-溴噻吩-2-基)乙烷-1-胺盐酸
  参考文献：
  名称：

  喹唑啉SOS1抑制剂的设计、合成及生物学评价

  摘要：

  Son of sevenless 1 (SOS1) 是一种重要的鸟嘌呤核苷酸交换因子(GEF)，可激活细胞中的大鼠肉瘤 (Ras) 蛋白。SOS1抑制剂可通过阻断SOS1与Ras蛋白的相互作用，有效抑制下游信号通路的表达。在这里，我们设计并合成了一系列基于喹唑啉的化合物，并对其生物活性进行了后续评估。其中，比较化合物I-2（IC 50  = 20 nM，针对 SOS1） I-5（IC 50  = 18 nM，针对 SOS1）和I-10（IC 50  = 8.5 nM，针对 SOS1）具有相当的激酶活性到BAY-293（IC 50 = 6.6 nM, against SOS1)，I-10也具有与BAY-293相当的细胞活性，为后续SOS1抑制剂的相关研究提供理论参考。

  DOI：

  10.1016/j.bmcl.2023.129265

文献信息

• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3404021A1

  公开（公告）日：2018-11-21

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.

  由以下通式（I）代表的化合物、该化合物的同系物或立体异构体、其药学上可接受的盐或其溶液可用作电压依赖性 T 型钙通道阻滞剂： 其中 A 代表可具有取代基的融合环，该融合环由 5 元杂芳基或 5 元或 6 元杂环和苯环或类似物组成，5 元杂芳基具有 1 至 3 个相同或不同的杂原子作为成环元素，具有至少一个取代基，例如具有 1 至 8 个碳原子并被 1 至 5 个卤素原子取代的烷氧基；R 代表氢原子或类似物；B 代表 CR5(Q1) 或 NQ2，其中 Q1 代表可能具有取代基的苯并咪唑基；Q2 代表可能具有取代基的具有 1 至 8 个碳原子的烷基、可能具有取代基的杂芳基或类似物；R0、R1、R2、R3、R4 和 R5 各代表氢原子或类似物；n 和 m 各代表 0、1 或 2，但 n 和 m 不能同时为 0 和 2。
• VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US20190077767A1

  公开（公告）日：2019-03-14

  A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof, is used as a voltage-dependent T-type calcium channel blocker: wherein A represents a fused ring which may have a substituent, the fused ring being composed of a 5-membered heteroaryl group or a 5-membered or 6-membered heterocyclic ring and a benzene ring or the like, the 5-membered heteroaryl group having one to three identical or different heteroatoms as a ring-constituting element(s) having at least one substituent such as an alkoxy group having 1 to 8 carbon atoms and substituted with 1 to 5 halogen atoms; R represents a hydrogen atom or the like; B represents CR5(Q1) or NQ2, herein Q1 represents a benzimidazole group which may have a substituent; Q2 represents an alkyl group having 1 to 8 carbon atoms which may have a substituent, a heteroaryl group which may have a substituent, or the like; R0, R1, R2, R3, R4, and R5 each represent a hydrogen atom or the like; and n and m each represent 0, 1, or 2, provide that n and m are not 0 and 2 at the same time.