3,4-二甲基-2-噻吩甲酸 | 89639-74-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 3,4-二甲基-2-噻吩甲酸
• 英文名称: 3,4-Dimethyl-thiophen-2-carbonsaeure
• 英文别名: 3,4-dimethyl-thiophene-2-carboxylic acid；3,4-Dimethylthiophene-2-carboxylic acid
• CAS: 89639-74-7
• 化学式: C₇H₈O₂S
• 分子量: 156.205
• InChiKey: RPZBMBIIOOKZMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3,4-二甲基-2-噻吩甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 2.0h， 生成 (3,4-Dimethyl-thiophen-2-yl)-(1-trityl-1H-imidazol-4-yl)-methanone
  参考文献：
  名称：

  α₂ Adrenoceptor Agonists as Potential Analgesic Agents. 3. Imidazolylmethylthiophenes

  摘要：

  A series of imidazolylmethylthiophenes has been prepared and evaluated as ligands for the at adrenoceptor. These compounds were tested in two animal models that are predictive of analgesic activity in humans. The 3-thienyl compounds were generally the most potent, particularly those with substitution in the 4-position. A subset of the most active compounds was further evaluated for adverse cardiovascular effects in the anesthetized rat model. In addition to excellent binding at the alpha (2D) adrenoceptor, the 4-bromo analogues 20e and 21e were very active in the rat abdominal irritant test (RAIT) with ED50 doses of 0.38 and 0.31 mg/kg, respectively. We constructed a pharmacophore model based on the biological activity of the present series, dexmedetomidine (1), and conformationally restrained analogues 3 and 4.

  DOI：

  10.1021/jm0003891
• 作为产物：
  描述：

  3,4-二甲基噻吩 在 正丁基锂 、 乙醚 作用下， 生成 3,4-二甲基-2-噻吩甲酸
  参考文献：
  名称：

  SUBSTITUTED THENOIC ACIDS

  摘要：

  DOI：

  10.1021/jo01366a013

文献信息

• 3-CARBAMOYL-2-PYRIDONE DERIVATIVES
  申请人：ISHIZUKA Natsuki

  公开号：US20120208813A1

  公开（公告）日：2012-08-16

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 , R 2 , R 3 , R 4 , and G are defined as herein, a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的活性的化合物，该受体由公式（I）表示：其中R1、R2、R3、R4和G如本文所定义，其药学上可接受的盐或溶剂，以及制备该化合物为活性成分的药物组合物、治疗特应性皮炎的药剂和抗瘙痒剂，尤其是用于口服和外用的抗瘙痒剂。
• 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP0889891B1

  公开（公告）日：2001-06-06
• EXTRACTION METHOD OF ACTIVE MOLECULAR STRUCTURES FROM NATURAL RESINS AND/OR ESSENTIAL OILS
  申请人：Calegaro Silver Sarda S.R.L.

  公开号：EP1641903A1

  公开（公告）日：2006-04-05
• Extraction method of active molecular structures from natural resins and/or essential oils
  申请人：Fochesato Antonio

  公开号：US20070178169A1

  公开（公告）日：2007-08-02

  An extraction method is described of terpenes and terpenoids from natural resins, such as myrrh, incense, dacryodes, dammar, propolis and/or essential oils, by means of extraction with polar and/or semi-polar solvents in the presence of a rotating magnetic field.
• US4061648A
  申请人：——

  公开号：US4061648A

  公开（公告）日：1977-12-06