5-(4-chlorophenylamino)-3-hydroxyisothiazole-4-carbonitrile | 287196-70-7

• 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: 5-(4-chlorophenylamino)-3-hydroxyisothiazole-4-carbonitrile
• 英文别名: 5-(4-Chloroanilino)-3-oxo-4-isothiazolecarbonitrile；5-(4-chloroanilino)-3-oxo-1,2-thiazole-4-carbonitrile
• CAS: 287196-70-7
• 化学式: C₁₀H₆ClN₃OS
• 分子量: 251.696
• InChiKey: FTFJWXKUFGYKLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4-chlorophenylamino)-3-hydroxyisothiazole-4-carbonitrile 、 环己甲胺 以 乙醇 为溶剂， 反应 16.0h， 生成 5-(4-chlorophenylamino)-N-(cyclohexylmethyl)-3-hydroxyisothiazole-4-carboxamidine
  参考文献：
  名称：

  Discovery of 3-hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles as potent MEK1 inhibitors

  摘要：

  3-Hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles were discovered as potent in vitro MEK1 inhibitors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.019
• 作为产物：
  描述：

  2-(4-Chloro-phenylthiocarbamoyl)-2-cyano-acetamide 在 溴 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 5-(4-chlorophenylamino)-3-hydroxyisothiazole-4-carbonitrile
  参考文献：
  名称：

  Discovery of 3-hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles as potent MEK1 inhibitors

  摘要：

  3-Hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles were discovered as potent in vitro MEK1 inhibitors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.019

文献信息

• Heterocyclic compounds and uses thereof
  申请人：——

  公开号：US20040039037A1

  公开（公告）日：2004-02-26

  Substituted isothiazole compounds and compositions are provided, wherein particularly preferred compositions and methods are directed towards inhibition of various protein kinases (especially MEK and/or ERK). Consequently, particularly preferred methods include treatment of diseases associated with abnormality in MEK and/or ERK function.

  提供了替代异噻唑化合物和组合物，其中特别优选的组合物和方法是针对各种蛋白激酶（特别是MEK和/或ERK）的抑制。因此，特别优选的方法包括治疗与MEK和/或ERK功能异常相关的疾病。
• MAMMALIAN GENES INVOLVED IN INFECTION
  申请人：Zirus, Inc.

  公开号：EP2362909A2

  公开（公告）日：2011-09-07
• ISOTHIOZOLES FOR TREATING CONDITIONS OF THE EYE
  申请人：Allergan, Inc.

  公开号：EP2464351A1

  公开（公告）日：2012-06-20
• INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS
  申请人：Disarm Therapeutics, Inc.

  公开号：US20220008405A1

  公开（公告）日：2022-01-13

  The present disclosure relates to methods of treating neurodegeneration and neurodegenerative diseases comprising administering to a subject in need thereof a combination of a SARM1 inhibitor and a neuroprotective agent.
• INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR
  申请人：Disarm Therapeutics, Inc.

  公开号：US20220072019A1

  公开（公告）日：2022-03-10

  The present disclosure relates to methods of treating neurodegeneration and neurodegenerative diseases comprising administering to a subject in need thereof a combination of a SARM1 inhibitor and NAD+ or a NAD+ precursor.