5-<(4-methylphenyl)amino>-3-hydroxyisothiazole-4-carbonitrile | 117376-87-1

• 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-methylphenyl)amino>-3-hydroxyisothiazole-4-carbonitrile
• 英文别名: 3-Hydroxy-5-[(4-methylphenyl)amino]-1,2-thiazole-4-carbonitrile；5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carbonitrile
• CAS: 117376-87-1
• 化学式: C₁₁H₉N₃OS
• mdl: MFCD11839757
• 分子量: 231.278
• InChiKey: UUSSJTAALVYGJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 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-methylphenyl)amino>-3-hydroxyisothiazole-4-carbonitrile 、 环己甲胺 以 乙醇 为溶剂， 反应 16.0h， 生成 5-(p-toluidino)-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：

  cyano-N¹-p-tolyl-thiomalonamide 在 溴 作用下， 以 乙酸乙酯 为溶剂， 生成 5-<(4-methylphenyl)amino>-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

• Shishoo, C. J.; Devani, M. B.; Ananthan, S., Journal of Heterocyclic Chemistry, 1988, vol. 25, # 2, p. 759 - 765
  作者：Shishoo, C. J.、Devani, M. B.、Ananthan, S.、Bhadti, V. S.、Ullas, G. V.

  DOI：——

  日期：——
• 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.
• [EN] INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR<br/>[FR] INHIBITEURS DE SARM1 EN COMBINAISON AVEC NAD+ OU UN PRÉCURSEUR DE NAD+
  申请人：DISARM THERAPEUTICS INC

  公开号：WO2020081923A1

  公开（公告）日：2020-04-23

  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.
• [EN] INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS<br/>[FR] INHIBITEURS DE SARM1 EN COMBINAISON AVEC DES AGENTS NEUROPROTECTEURS
  申请人：DISARM THERAPEUTICS INC

  公开号：WO2020132045A1

  公开（公告）日：2020-06-25

  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.