5-phenyl-isothiazole-4-carboxylic acid | 32539-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-phenyl-isothiazole-4-carboxylic acid
• 英文别名: 5-phenylisothiazole-4-carboxylic acid；5-Phenyl-isothiazol-carbonsaeure-(4)；5-Phenyl-isothiazol-4-carbonsaeure；5-Phenylisothiazole-4-carboxylic acid；5-phenyl-1,2-thiazole-4-carboxylic acid
• CAS: 32539-74-5
• 化学式: C₁₀H₇NO₂S
• 分子量: 205.237
• InChiKey: MIWYIQXDYUZMIC-UHFFFAOYSA-N

物化性质

• 沸点：
  273.4±33.0 °C(Predicted)
• 密度：
  1.368±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 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：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-phenyl-isothiazole-4-carboxylic acid 在 氯化亚砜 作用下， 反应 1.0h， 生成 5-Phenyl-isothiazol-4-carbonsaeure-chlorid
  参考文献：
  名称：

  来自3-和5-苯基异噻唑-4-羧酸和烷氧基衍生物的青霉素。

  摘要：

  DOI：

  10.1021/jm00307a040
• 作为产物：
  描述：

  4-Phenyl-1,3,2-oxathiazolylium-5-olat 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 12.67h， 生成 5-phenyl-isothiazole-4-carboxylic acid
  参考文献：
  名称：

  Gotthardt,H., Chemische Berichte, 1972, vol. 105, p. 196 - 202

  摘要：

  DOI：

文献信息

• [EN] AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS<br/>[FR] COMPOSÉS AMIDO-ISOTHIAZOLE ET LEUR UTILISATION COMME INHIBITEURS DE LA 11 ?-HSD1 DANS LE TRAITEMENT DU SYNDROME MÉTABOLIQUE ET DES TROUBLES APPARENTÉS
  申请人：UNIV EDINBURGH

  公开号：WO2010146338A1

  公开（公告）日：2010-12-23

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain amido-isothiazole compounds that, inter alia, inhibit 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 11β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.

  本发明涉及治疗化合物领域。更具体地，本发明涉及某些酰胺异硫唑化合物，其中包括抑制11β-羟基类固醇脱氢酶1（11β-HSD1）。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物和组合物，无论在体外还是体内，来抑制11β-羟基类固醇脱氢酶1；治疗通过抑制11β-羟基类固醇脱氢酶1得到改善的疾病；治疗代谢综合征，其中包括疾病，如2型糖尿病和肥胖症，以及相关疾病，包括胰岛素抵抗、高血压、血脂紊乱和心血管疾病，如缺血性（冠状动脉）心脏病；治疗中枢神经系统疾病，如轻度认知障碍和早期痴呆，包括阿尔茨海默病等。
• Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders
  申请人：Webster Scott Peter

  公开号：US20120095046A1

  公开（公告）日：2012-04-19

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain amido-isothiazole compounds that, inter alia, inhibit 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit 11β-hydroxysteroid dehydrogenase type 1; to treat disorders that are ameliorated by the inhibition of 11β-hydroxysteroid dehydrogenase type 1; to treat the metabolic syndrome, which includes disorders such as type 2 diabetes and obesity, and associated disorders including insulin resistance, hypertension, lipid disorders and cardiovascular disorders such as ischaemic (coronary) heart disease; to treat CNS disorders such as mild cognitive impairment and early dementia, including Alzheimer's disease; etc.

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及某些酰胺异噻唑化合物，其在其他方面抑制11β-羟基类固醇脱氢酶1型（11β-HSD1）。本发明还涉及包括这些化合物的制药组合物，并且在体内外使用这些化合物和组合物以抑制11β-羟基类固醇脱氢酶1型；治疗通过抑制11β-羟基类固醇脱氢酶1型改善的疾病；治疗代谢综合症，包括2型糖尿病和肥胖症，以及相关疾病，包括胰岛素抵抗、高血压、脂质代谢紊乱和缺血性（冠状动脉）心脏病等；治疗中枢神经系统疾病，如轻度认知障碍和早期痴呆，包括阿尔茨海默病等。
• AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS
  申请人：THE UNIVERSITY OF EDINBURGH

  公开号：EP2443113A1

  公开（公告）日：2012-04-25
• Penicillins from 3- and 5-phenylisothiazole-4-carboxylic acids and alkoxy derivatives
  作者：R. G. Micetich、R. Raap

  DOI：10.1021/jm00307a040

  日期：1968.1
• Gotthardt,H., Chemische Berichte, 1972, vol. 105, p. 196 - 202
  作者：Gotthardt,H.

  DOI：——

  日期：——