2-丙烯酸,3-[4-(1H-咪唑-1-基甲基)苯基]-,盐酸,水合物(1:1:1) | 83993-01-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 2-丙烯酸,3-[4-(1H-咪唑-1-基甲基)苯基]-,盐酸,水合物(1:1:1)
• 英文名称: 4-(1-imidazolylmethyl)cinnamic acid hydrochloride monohydrate
• 英文别名: Ozagrel hydrochloride hydrate；(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrate;hydrochloride
• CAS: 83993-01-5
• 化学式: C₁₃H₁₂N₂O₂*ClH*H₂O
• 分子量: 282.727
• InChiKey: OWIZTYOMGVTSDP-TXOOBNKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  56.1
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-acetyl-3-[4-(2-methoxycarbonylvinyl)benzyl]imidazolium bromide 在 盐酸 作用下， 生成 2-丙烯酸,3-[4-(1H-咪唑-1-基甲基)苯基]-,盐酸,水合物(1:1:1)
  参考文献：
  名称：

  1,3-Disubstituted imidazoles

  摘要：

  通用公式(I)的1,3-二取代咪唑化合物如下：其中A和B可以相同也可以不同，每个都是具有1至8个碳原子的直链或支链烷基或烯基基团，Y是具有2至10个碳原子的酰基基团，具有2至7个碳原子的烷氧羰基基团或具有3至13个碳原子的二烷氧甲基基团，Z是氰基或具有2至7个碳原子的烷氧羰基基团，X是卤素原子，n为零或1。所述化合物是制备通用公式(V)的咪唑衍生物的中间体，这些咪唑衍生物对血栓素合成酶具有强烈和特异的抑制作用，因此可用作治疗由血栓素A.sub.2引起的疾病的治疗剂。

  公开号：

  US04469865A1

文献信息

• 4-(1-Imidazolylmethyl)cinnamic acid hydrochloride monohydrate, method of preparation thereof, and pharmaceutical composition containing same
  申请人：Kissei Pharmaceutical Co Ltd

  公开号：EP0058079A2

  公开（公告）日：1982-08-18

  4-(1-Imidazolylmethyl)cinnamic acid hydrochloride monohydrate of the formula: and pharmaceutical compositions containing such compound. The imidazole derivative above has a strong and specific inhibitory effect on thromboxane synthetase from human or bovine platelet microsomes, is useful as a therapeutical agent for inflammation. hypertension, thrombus, cerebral apoplexy, and asthma, and is non-hygroscopic.

  式中的 4-(1-咪唑基甲基)肉桂酸盐酸盐一水合物： 以及含有此类化合物的药物组合物。 上述咪唑衍生物对来自人或牛血小板微粒体的血栓素合成酶具有很强的特异性抑制作用，可作为治疗炎症、高血压、血栓、脑中风和哮喘的药物，且无吸湿性。
• 1,3-Disubstituted imidazoles and a process for their production
  申请人：Kissei Pharmaceutical Co Ltd

  公开号：EP0076140A2

  公开（公告）日：1983-04-06

  1,3-Disubstituted imidazoles of the general formula (I): wherein A and B may be the same or different, and each is a straight or branched chain alkylene or alkenylene group having 1 to 8 carbon atoms, Y is an acyl group having 2 to 10 carbon atoms, an alkoxycarbonyl group having 2 to 7 carbon atoms or an dialkoxymethyl group having 3 to 13 carbon atoms, Z is a cyano group or an alkoxycarbonyl group having 2 to 7 carbon atoms, X is a halogen atom, n is zero or 1. The said compounds are intermediates for producing the imidazole derivatives of the general formula (V) above which possess strong and specific inhibitory effects on thromboxane synthetase and thus are useful as therapeutical agents for treatment of diseases caused by thromboxane A2.

  通式(I)的 1,3-二取代咪唑： 其中 A 和 B 可以相同或不同，且各自为具有 1 至 8 个碳原子的直链或支链亚烷基或烯基，Y 为具有 2 至 10 个碳原子的酰基、具有 2 至 7 个碳原子的烷氧羰基或具有 3 至 13 个碳原子的二烷氧基甲基，Z 为氰基或具有 2 至 7 个碳原子的烷氧羰基，X 为卤素原子，n 为 0 或 1。上述化合物是生产上述通式（V）咪唑衍生物的中间体，对血栓素合成酶具有强烈的特异性抑制作用，因此可作为治疗剂用于治疗由血栓素 A2 引起的疾病。
• MEDICINAL COMPOSITION FOR TREATING INTRACTABLE HEART DISEASE
  申请人：Osaka University

  公开号：EP3569249A1

  公开（公告）日：2019-11-20

  The present invention provides a pharmaceutical composition for use in treating an intractable heart tissue fibrosis disease accompanied by chronic heart failure. The pharmaceutical composition for use in treating an intractable heart tissue fibrosis disease accompanied by chronic heart failure comprises, as an active ingredient, at least one member selected from the group consisting of protease inhibitors, thromboxane A2 synthase inhibitors, thromboxane A2 synthase antagonists, phosphodiesterase (PDE) inhibitors, tyrosine kinase inhibitors, HMG-CoA reductase inhibitors, and antifibrotic agents. (The pharmaceutical composition includes biodegradable polymer-encapsulated, long-acting preparations thereof.)

  本发明提供了一种用于治疗伴有慢性心力衰竭的难治性心脏组织纤维化疾病的药物组合物。用于治疗伴有慢性心力衰竭的难治性心脏组织纤维化疾病的药物组合物包括至少一种选自由蛋白酶抑制剂、血栓素 A2 合酶抑制剂、血栓素 A2 合酶拮抗剂、磷酸二酯酶 (PDE) 抑制剂、酪氨酸激酶抑制剂、HMG-CoA 还原酶抑制剂和抗纤维化剂组成的组的成员作为活性成分。(药物组合物包括其中的生物可降解聚合物包封长效制剂）。
• ANTI-IGE ANTIBODY SPECIFICALLY BINDING TO MEMBRANE-BOUND IGE ANTIBODY OF IGE ANTIBODY-PRODUCING B CELLS AND METHOD FOR DIAGNOSING AND TREATING ALLERGIC SYMPTOMS USING THE SAME
  申请人：RIKEN

  公开号：EP3882274A1

  公开（公告）日：2021-09-22

  The present invention provides an antibody specific to IgE antibody-producing B cells or an antibody binding fragment thereof. More specifically, the present invention provides an isolated monoclonal antibody or an antigen binding fragment thereof that binds to a peptide having a sequence consisting of an amino acid sequence set forth in SEQ ID NO: 1 or 18, and (1) binds to IgE antibody on a B cell surface and/or (2) binds to IgE antibody heated at 56°C.

  本发明提供了一种针对产生 IgE 抗体的 B 细胞的特异性抗体或其抗体结合片段。更具体地说，本发明提供了一种分离的单克隆抗体或其抗原结合片段，该抗体或其抗原结合片段与具有由 SEQ ID NO: 1 或 18 所列氨基酸序列组成的序列的多肽结合，并且 (1) 与 B 细胞表面的 IgE 抗体结合，和/或 (2) 与在 56°C 下加热的 IgE 抗体结合。
• Medicinal Composition for Treating Intractable Heart Disease
  申请人：Osaka University

  公开号：US20190343841A1

  公开（公告）日：2019-11-14

  The present invention provides a pharmaceutical composition for use in treating an intractable heart tissue fibrosis disease accompanied by chronic heart failure. The pharmaceutical composition for use in treating an intractable heart tissue fibrosis disease accompanied by chronic heart failure comprises, as an active ingredient, at least one member selected from the group consisting of protease inhibitors, thromboxane A 2 synthase inhibitors, thromboxane A 2 synthase antagonists, phosphodiesterase (PDE) inhibitors, tyrosine kinase inhibitors, HMG-CoA reductase inhibitors, and antifibrotic agents. (The pharmaceutical composition includes biodegradable polymer-encapsulated, long-acting preparations thereof.)