2,5-二氯噻吩-3-羧酸甲酯 | 145129-54-0

• 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: 2,5-二氯噻吩-3-羧酸甲酯
• 英文名称: 2,5-dichlorothiophene-3-carboxylic acid methyl ester
• 英文别名: methyl 2,5-dichlorothiophene-3-carboxylate；methyl 2,5-dichlorothiophene-3-caboxylate
• CAS: 145129-54-0
• 化学式: C₆H₄Cl₂O₂S
• mdl: MFCD00051763
• 分子量: 211.069
• InChiKey: VCXPHMKCDRPIDG-UHFFFAOYSA-N

物化性质

• 沸点：
  74-75°C 0,6mm
• 闪点：
  74-75°C/0.6mm

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 安全说明：
  S26,S36
• 危险类别码：
  R36/38
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2,5-二氯噻吩-3-羧酸甲酯 生成 (2,5-dichloro-3-thienyl)methanol
  参考文献：
  名称：

  Sulfonamide compounds and medicinal use thereof

  摘要：

  化合物的化学式（I）为磺胺类化合物： R1—SO2NHCO—A—R2  （I） 其中R1为烷基，烯基，炔基等；A为除苯并咪唑基，吲哚基，4,7-二氢苯并咪唑基和2,3-二氢苯并噁嗪基之外的可选择取代的杂多环基团；X为烷基，氧杂环烷基等；R2为可选择取代的芳基，取代的联苯基等，其盐及包含其的药物组合物。该磺胺类化合物对于基于其降低血糖水平活性、cGMP-PDE（特别是PDE-V）抑制活性、平滑肌松弛活性、支气管扩张活性、血管扩张活性、平滑肌细胞抑制活性和抗过敏活性可治疗的疾病有效。

  公开号：

  US06348474B1

文献信息

• Flavone derivatives, preparation method and use as medicines
  申请人：——

  公开号：US20030119816A1

  公开（公告）日：2003-06-26

  The invention concerns novel products of formula (I) wherein: R1 represents a carbocyclic or heterocyclic radical optionally substituted; R2 and R3 are such that one represents hydrogen and the other represents piperidinyl optionally substituted; R4 represents hydrogen, alkyl or phenyl optionally substituted, said products being in all isomeric and salt forms and used as medicines.

  本发明涉及式（I）的新型产物：其中，R1代表一个可选择取代的碳环或杂环基团；R2和R3是这样的，其中一个代表氢，另一个代表可选择取代的哌啶基团；R4代表氢、烷基或苯基，可选择取代，所述产物以所有异构体和盐形式存在，并用作药物。
• (Pyrido/thieno) - [f] - oxazepine-5-one derivatives
  申请人：——

  公开号：US20040220175A1

  公开（公告）日：2004-11-04

  The present invention relates to (pyrido/thieno)-[f]-oxazepine-5-one derivatives having the general Formula I wherein R 1 , R 2 and R 3 are independently H or (C 1-4 )alkyl; Ar represents a fused thiophene or pyridine ring optionally substituted with one or more substituents selected from (C 1-4 )alkyl, (C 1-4 )alkyloxy, (C 1-4 )alkyloxy(C 1-4 )alkyl, CF 3 , halogen, nitro, cyano, NR 4 R 5 , NR 4 COR 6 , and CONR 4 R 5 ; R 4 and R 5 are independently H or (C 1-4 )-alkyl; or R 4 and R 5 form together with the nitrogen atom to which they are bound a 5-or 6-membered saturated heterocyclic ring, optionally containing a further heteroatom selected from O, S or NR 6 ; R 6 is (C 1-4 )alkyl; A represents the residue of a 4-7 membered saturated heterocyclic ring, optionally containing an oxygen atom, the ring being optionally substituted with 1-3 substituents selected from (C 1-4 )alkyl, (C 1-4 )-alkyloxy, hydroxy, halogen and oxo; or a pharmaceutically acceptable salt thereof. The invention also relates to pharmaceutical compositions comprising said derivatives, and to the use of these (pyrido/thieno)-[f]-oxazepine-5-one derivatives in the treatment of neurological diseases and psychiatric disorders which are responsive to enhancement of synaptic responses mediated by AMPA receptors in the central nervous system. 1

  本发明涉及具有通式I的（吡啶/噻吩）- [f] - 噁唑啉-5-酮衍生物，其中R1，R2和R3独立地为H或（C1-4）烷基; Ar表示融合的噻吩或吡啶环，可选地取代一个或多个取代基，所选取代基包括（C1-4）烷基，（C1-4）烷氧基，（C1-4）烷氧基（C1-4）烷基，CF3，卤素，硝基，氰基，NR4R5，NR4COR6和CONR4R5; R4和R5独立地为H或（C1-4）烷基; 或R4和R5与它们所结合的氮原子一起形成一个5或6成员饱和杂环，可选地含有进一步的杂原子，所选的杂原子包括O，S或NR6; R6为（C1-4）烷基; A表示4-7成员饱和杂环的残基，可选地含有一个氧原子，该环可选地取代1-3个取代基，所选的取代基包括（C1-4）烷基，（C1-4）烷氧基，羟基，卤素和氧代基; 或其药学上可接受的盐。本发明还涉及包含上述衍生物的制药组合物，以及使用这些（吡啶/噻吩）- [f] - 噁唑啉-5-酮衍生物治疗对于通过增强中枢神经系统中AMPA受体介导的突触响应对神经疾病和精神障碍有反应的方法。
• Sulfonamide compounds and pharmaceutical use thereof
  申请人：Fujisawa Pharmaceutical Co. Ltd.

  公开号：US20020099212A1

  公开（公告）日：2002-07-25

  A sulfonamide compound of the formula (I): R 1 —SO 2 NHCO—A—X—R 2 (I) wherein R 1 is alky, alkenyl, alkynyl and the like; A is an optionally substituted heteropolycyclic group except benzimidazolyl, indolyl, 4,7-dihydrobenzimidazolyl and 2,3-dihydrobenzoxazinyl; X is alkylene, oxa, oxa(lower)alkylene and the like; and R 2 is optionally substituted aryl, substituted biphenylyl and the like, a salt thereof and a pharmaceutical composition comprising the same. The sulfonamide compound is effective for the diseases treatable based on their blood sugar level-depressing activity, cGMP-PDE (especially PDE-V)-inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity, smooth muscle cell suppressing activity, and antiallergic activity.

  化合物I的磺酰胺类化合物：R1-SO2NHCO-A-X-R2（I），其中R1是烷基，烯基，炔基等；A是可选取代的异杂多环基团，但不包括苯并咪唑基，吲哚基，4,7-二氢苯并咪唑基和2,3-二氢苯并噁唑基；X是烷基，氧杂环烷基，氧杂环（低）烷基等；R2是可选取代的芳基，取代联苯基等，其盐和药物组成物。该磺酰胺类化合物对于可基于其降低血糖水平的活性、cGMP-PDE（特别是PDE-V）抑制活性、平滑肌松弛活性、支气管扩张活性、血管扩张活性、平滑肌细胞抑制活性和抗过敏活性可治疗的疾病有效。
• Pyrimidine Derivative Condensed with a Non-Aromatic Ring
  申请人：Yonetoku Yasuhiro

  公开号：US20080070896A1

  公开（公告）日：2008-03-20

  There are provided new pyrimidine derivatives condensed with a non-aromatic ring selected from dihydrothiophene, dihydrofuran, cycloalkane moiety, and the like or pharmaceutically acceptable salts thereof; and a pharmaceutical composition comprising said compound as an active ingredient. These compounds exhibit excellent promoting activity on insulin secretion and activity against hyperglycemia. Hence, the pharmaceutical compositions comprising such compounds as active ingredients, based on these actions, are useful for treating and/or preventing insulin-dependent diabetes (type 1 diabetes), non-insulin-dependent diabetes (type 2 diabetes), insulin-resistant diseases, obesity, and the like.

  提供了一些新的嘧啶衍生物，其与二氢噻吩、二氢呋喃、环烷基等非芳香环结构缩合，或其药学上可接受的盐缩合；以及一种含有该化合物作为活性成分的制药组合物。这些化合物表现出对胰岛素分泌的促进活性和对高血糖的活性。因此，基于这些作用，包含这些化合物作为活性成分的制药组合物可用于治疗和/或预防胰岛素依赖性糖尿病（1型糖尿病）、非胰岛素依赖性糖尿病（2型糖尿病）、胰岛素抵抗性疾病、肥胖症等。
• Amide Compound
  申请人：Ogino Masaki

  公开号：US20090048258A1

  公开（公告）日：2009-02-19

  The present invention relate to a compound represented by the formula (I) or (II) wherein ring A is an optionally substituted ring (the ring should not be pyrrolidine, piperidine and piperazine), ring B is an optionally substituted aromatic ring, ring D is an optionally substituted ring, R 1 and R 2 are each independently a hydrogen atom or a substituent, R 3 is a hydrogen atom or a C 1-6 alkyl group, or R 3 is bonded to ring A to form a non-aromatic ring, ring Aa is an optionally substituted aromatic hydrocarbon, Y is CH or N, Ra 1 is an optionally substituted hydrocarbon group, and Ra 2 and Ra 3 are each independently a hydrogen atom or a substituent, or a salt thereof. The present invention provides a compound having a DGAT inhibitory activity, which is useful for the treatment or amelioration of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明涉及一种由公式（I）或（II）表示的化合物，其中环A是一个可选的取代环（该环不应为吡咯烷，哌啶和哌嗪），环B是一个可选的取代芳香环，环D是一个可选的取代环，R1和R2分别是氢原子或取代基，R3是氢原子或C1-6烷基，或者R3与环A连接形成非芳香环，环Aa是一个可选的取代芳香烃，Y是CH或N，Ra1是一个可选的取代烃基，Ra2和Ra3分别是氢原子或取代基，或其盐。本发明提供了一种具有DGAT抑制活性的化合物，可用于治疗或改善由高表达或高激活DGAT引起的疾病或病理学。

表征谱图