5-(3,5-dichlorophenylamino)-3-hydroxyisothiazole-4-carbonitrile | 663958-25-6

• 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-(3,5-dichlorophenylamino)-3-hydroxyisothiazole-4-carbonitrile
• 英文别名: 5-(3,5-Dichloroanilino)-3-oxo-isothiazole-4-carbonitrile；5-(3,5-dichloroanilino)-3-oxo-1,2-thiazole-4-carbonitrile
• CAS: 663958-25-6
• 化学式: C₁₀H₅Cl₂N₃OS
• 分子量: 286.141
• InChiKey: FEVQJBQBONBSEC-UHFFFAOYSA-N

物化性质

• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 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-(3,5-dichlorophenylamino)-3-hydroxyisothiazole-4-carbonitrile 、 环己甲胺 以 乙醇 为溶剂， 反应 16.0h， 生成 N-(cyclohexylmethyl)-5-(3,5-dichlorophenylamino)-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：

  3,5-二氯异硫氰酸苯酯 在 氢氧化钾 、 溴 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 5-(3,5-dichlorophenylamino)-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

• MAMMALIAN GENES INVOLVED IN INFECTION
  申请人：Zirus, Inc.

  公开号：EP2362909A2

  公开（公告）日：2011-09-07
• 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.
• US6989451B2
  申请人：——

  公开号：US6989451B2

  公开（公告）日：2006-01-24
• [EN] MAMMALIAN GENES INVOLVED IN INFECTION<br/>[FR] GÈNES MAMMALIENS INTERVENANT DANS UNE INFECTION
  申请人：ZIRUS INC

  公开号：WO2010039778A2

  公开（公告）日：2010-04-08

  The present invention relates to nucleic acid sequences and cellular proteins encoded by these sequences that are involved in infection or are otherwise associated with the life cycle of one or more pathogens.