5-chloro-4-methylthiophen-2-carboxylic acid | 74598-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-chloro-4-methylthiophen-2-carboxylic acid
• 英文别名: 5-Chlor-4-methyl-thiophen-2-carbonsaeure；5-Chloro-4-methyl-thiophene-2-carboxylic acid；5-chloro-4-methyl-2-thiophenecarboxylic acid；5-Chloro-4-methylthiophene-2-carboxylic acid
• CAS: 74598-03-1
• 化学式: C₆H₅ClO₂S
• 分子量: 176.624
• InChiKey: DFFITKIQYSTVPF-UHFFFAOYSA-N

物化性质

• 熔点：
  199-201 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  294.6±35.0 °C(Predicted)
• 密度：
  1.475±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P330,P362,P403+P233,P501
• 危险性描述：
  H302,H312,H332

反应信息

• 作为反应物：
  描述：

  5-chloro-4-methylthiophen-2-carboxylic acid 在 氯化亚砜 、 硫酸 、 溴 作用下， 以 四氯化碳 为溶剂， 反应 9.0h， 生成 5-氯-4-甲酰基噻吩-2-羧酸乙酯
  参考文献：
  名称：

  Clarke, Kenneth; Fox, William Richard; Scrowston, Richard M., Journal of the Chemical Society. Perkin transactions I, 1980, p. 1029 - 1037

  摘要：

  DOI：
• 作为产物：
  描述：

  (5-chloro-4-methyl-thien-2-yl)-methylketone 生成 5-chloro-4-methylthiophen-2-carboxylic acid
  参考文献：
  名称：

  BINDER, D.;NOE, C.

  摘要：

  DOI：

文献信息

• Phosphorylamides, their preparation and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05840917A1

  公开（公告）日：1998-11-24

  A phosphorylamide derivative represented by the general formula (I): ##STR1## wherein R represents an amino group that may be substituted, or a salt thereof, possesses potent antibacterial activity against Helicobacter bacterium, especially Helicobacter pylori, and is useful for prevention or treatment of digestive diseases caused by Helicobacter bacterium, solely or in combination with an antacid or an acid secretion inhibitor.

  一种由通式（I）表示的磷酰胺衍生物：##STR1## 其中R代表可能被取代的氨基团或其盐，对幽门螺杆菌，特别是幽门螺杆菌，具有强效的抗菌活性，并可用于单独或与抗酸剂或酸分泌抑制剂联合预防或治疗由幽门螺杆菌引起的消化系统疾病。
• Inhibitors of AKT Activity
  申请人：Novartis AG

  公开号：US20160287561A1

  公开（公告）日：2016-10-06

  Invented are novel heterocyclic carboxamide compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  本发明涉及一种新型杂环羧酰胺化合物，其作为蛋白激酶B活性的抑制剂以及在癌症和关节炎治疗中的应用。
• Derivatives of thiophene-2-carboxylic acid and their pharmaceutically
  申请人：Laevosan-Gesellschaft m.b.H. & Co. KG

  公开号：US04590203A1

  公开（公告）日：1986-05-20

  The disclosure is directed to new derivatives of thiophene-2-carboxylic acid and the pharmaceutically acceptable acid or base addition salts thereof as well as to the process for the preparation thereof. The compounds of the invention have the structural formula ##STR1## in which R in position 3 or 4 of the thiophene nucleus is hydrogen, methyl, chlorine or bromine and R.sub.1 is hydrogen or C.sub.1 -C.sub.4 -alkyl. The compounds have a remarkably strong inhibitory effect on the thromboxane synthetase and are useful for the treatment of conditions such as inflammation, hypertension, thrombus, apoplexy, asthma, angina pectoris, ischemic heart diseases, ischemic conditions, migraine and vascular complications in connection with diabetes.

  本公开涉及噻吩-2-羧酸的新衍生物及其药学上可接受的酸或碱盐的制备方法。本发明的化合物具有结构式##STR1##其中，噻吩核的3或4号位的R为氢、甲基、氯或溴，R.sub.1为氢或C.sub.1-C.sub.4烷基。这些化合物具有显著的凝血酶合成酶抑制作用，并可用于治疗炎症、高血压、血栓、中风、哮喘、心绞痛、缺血性心脏病、缺血性病症、偏头痛和与糖尿病相关的血管并发症等疾病。
• INHIBITORS OF Akt ACTIVITY
  申请人：Seefeld Mark A.

  公开号：US20100041726A1

  公开（公告）日：2010-02-18

  Invented are novel heterocyclic carboxamide compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  本发明提供了一种新型杂环羧酰胺化合物，该化合物可用作蛋白激酶B活性的抑制剂，并可用于治疗癌症和关节炎。
• Inhibitors of Akt activity
  申请人：GlaxoSmithKline LLC

  公开号：US08273782B2

  公开（公告）日：2012-09-25

  Invented are novel heterocyclic carboxamide compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  发明了新型杂环羧酰胺化合物，这些化合物可用作蛋白激酶B活性的抑制剂，并用于癌症和关节炎的治疗。