1-(5-chloro-2,4-dihydroxy-phenyl)-5-(4-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester | 820232-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(5-chloro-2,4-dihydroxy-phenyl)-5-(4-fluoro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester
• 英文别名: Ethyl 1-(5-chloro-2,4-dihydroxyphenyl)-5-(4-fluorophenyl)triazole-4-carboxylate
• CAS: 820232-74-4
• 化学式: C₁₇H₁₃ClFN₃O₄
• 分子量: 377.759
• InChiKey: HLSMSVVWPKQUMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  97.5
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Substituted 5-membered ring compounds and their use
  申请人：Cheung Ming Kwai

  公开号：US20060235058A1

  公开（公告）日：2006-10-19

  Compound of a compound of formula (1) or a salt, N-oxide, hydrate or solvate thereof, in the preparation of a composition for inhibition of HSP90 activity: wherein ring A is an aromatic or non-aromatic carbocyclic or heterocyclic ring having 5 ring atoms, for example 1,2,3-triazolyl or a 1,2,4-triazolyl or a tetrazolyl ring; and R 1 R 2 R 3 are as defined in the specification are inhibitors of HSP90 and therefore of use in the treatment of, for example, cancers, viral disease, inflammatory diseases such as rheumatoid arthritis, asthma, multiple sclerosis, Type I diabetes, lupus, psoriasis and inflammatory bowel disease; cystic fibrosis angiogenesis-related disease such as diabetic retinopathy, haemangiomas, and endometriosis; or for protection of normal cells against chemotherapy-induced toxicity; or diseases where failure to undergo apoptosis is an underlying factor, or protection from hypoxia-ischemic injury due to elevation of Hsp70 in the heart and brain; scrapie /CJD, Huntingdon's and Alzheimer's disease.

  化合物的化合物（1）或其盐，N-氧化物，水合物或溶剂化物的复合物，用于制备抑制HSP90活性的组合物：其中环A是具有5个环原子的芳香或非芳香碳环或杂环，例如1,2,3-三唑基或1,2,4-三唑基或四唑基环；而R1R2R3如规范中所定义是HSP90抑制剂，因此可用于治疗例如癌症，病毒性疾病，炎症性疾病，如类风湿性关节炎，哮喘，多发性硬化症，1型糖尿病，狼疮，银屑病和炎症性肠病；囊性纤维化，与血管生成相关的疾病，如糖尿病性视网膜病变，血管瘤和子宫内膜异位症；或用于保护正常细胞免受化疗引起的毒性；或在未能进行凋亡是潜在因素的疾病中，或保护心脏和大脑中HSP70升高引起的缺氧缺血损伤；病毒性脑炎，亨廷顿病和阿尔茨海默病。
• ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY
  申请人：Giannini Giuseppe

  公开号：US20140329812A1

  公开（公告）日：2014-11-06

  The present invention relates to aryl triazole derivatives of Formula I having antitumoural activity through, as one possible biological target, the molecular chaperone heat shock protein 90 (Hsp90) inhibition. The invention includes the use of such compounds in medicine, in relation to cancer disease as well as other diseases where an inhibition of Hsp90 is responsive, and the pharmaceutical composition containing such compounds.

  本发明涉及公式I的芳基三唑衍生物，通过作为可能的生物靶点之一，分子伴侣热休克蛋白90（Hsp90）抑制具有抗肿瘤活性。本发明包括将这些化合物用于医学，与癌症疾病以及其他需要抑制Hsp90的疾病有关，并且包含这些化合物的制药组合物。
• US7728016B2
  申请人：——

  公开号：US7728016B2

  公开（公告）日：2010-06-01
• US9302998B2
  申请人：——

  公开号：US9302998B2

  公开（公告）日：2016-04-05