4-methyl-2-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)thiazole-5-carboxylic acid | 1034981-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-methyl-2-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)thiazole-5-carboxylic acid
• 英文别名: 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-1,3-thiazole-5-carboxylic acid
• CAS: 1034981-77-5
• 化学式: C₁₆H₁₆N₄O₂S
• 分子量: 328.395
• InChiKey: RIFBYAZARKBQJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-氨甲基吡啶 、 4-methyl-2-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)thiazole-5-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以51%的产率得到4-methyl-2-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
  参考文献：
  名称：

  WO2008/74835

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 4-methyl-2-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)thiazole-5-carboxylate 在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以89%的产率得到4-methyl-2-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)thiazole-5-carboxylic acid
  参考文献：
  名称：

  WO2008/74835

  摘要：

  公开号：

文献信息

• [EN] METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES<br/>[FR] MÉTHODES ET COMPOSITIONS POUVANT ÊTRE UTILISÉES EN VUE DU TRAITEMENT DE MALADIES MYÉLOPROLIFÉRATIVES ET D'AUTRES MALADIES PROLIFÉRATIVES
  申请人：DECIPHERA PHARMACEUTICALS LLC

  公开号：WO2013036232A2

  公开（公告）日：2013-03-14

  Compounds of the present invention find utility in the treatment of hyperproliferative diseases, mammalian cancers and especially human cancers including but not limited to malignant, melanomas, glioblastomas, ovarian cancer, pancreatic cancer, prostate cancer, lung cancers, breast cancers, kidney cancers, cervical carcinomas, metastasis of primary tumor sites secondary sites, myeloproliferative diseases, chronic myelogenous leukemia, acute lymphocytic leukemia, papillary thyroid carcinoma, non small cell lung cancer, mesothelioma, hypereosinophilic syndrome, gastrointestinal stromal tumors, colonic cancers, thyroid cancer, ocular diseases characterized by hyperproliferation leading to blindness including various retinopathies, i.e. diabetic retinopathy and age-related macular degeneration, rheumatoid arthritis, asthma, chronic obstructive pulmonary disease, human inflammation, rheumatoid spondylitis, ostero-arthritis, asthma, gouty arthritis, sepsis, septic shock, endotoxic shock, Gram-negative sepsis, toxic shock syndrome, adult respiratory distress syndrome, stroke, reperfusion injury, neural trauma, neural ischemia, psoriasis, restenosis, chronic obstructive pulmonary disease, bone resorptive diseases, graft-versus-host reaction, Crohn's disease, ulcerative colitis, inflammatory bowel disease, pyresis, and combinations thereof, a disease caused by c-ABL kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, c-KIT kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, VEGFR kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, PDGFR kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, FLT-3 kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, TIE-2 kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, TRK kinases, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, c-MET kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof, or a disease caused by a HER kinase, oncogenic forms thereof, aberrant fusion proteins thereof and polymorphs thereof.

  本发明的化合物在治疗增生性疾病、哺乳动物癌症，特别是人类癌症方面具有实用性，包括但不限于恶性黑色素瘤、胶质母细胞瘤、卵巢癌、胰腺癌、前列腺癌、肺癌、乳腺癌、肾癌、宫颈癌、原发肿瘤部位和转移部位的转移、骨髓增生性疾病、慢性髓性白血病、急性淋巴细胞白血病、乳头状甲状腺癌、非小细胞肺癌、间皮瘤、高嗜酸性综合症、胃肠道间质瘤、结肠癌、甲状腺癌、眼部疾病，包括各种视网膜病变，如糖尿病性视网膜病变和老年性黄斑变性、类风湿性关节炎、哮喘、慢性阻塞性肺疾病、人类炎症、类风湿脊柱炎、骨关节炎、痛风性关节炎、败血症、脓毒症、内毒素性休克、革兰氏阴性菌感染、毒性休克综合症、成人呼吸窘迫综合症、中风、再灌注损伤、神经创伤、神经缺血、银屑病、再狭窄、慢性阻塞性肺疾病、骨吸收性疾病、移植物抗宿主反应、克罗恩病、溃疡性结肠炎、炎症性肠病、发热和以上疾病的组合，由c-ABL激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，c-KIT激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，VEGFR激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，PDGFR激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，FLT-3激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，TIE-2激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，TRK激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，c-MET激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病，或由HER激酶、其致癌形式、异常融合蛋白和多态形式引起的疾病。
• ORGANIC COMPOUNDS
  申请人：Dales Natalie

  公开号：US20100029722A1

  公开（公告）日：2010-02-04

  The present invention provides heterocyclic derivatives that modulate the activity of stearoyl-CoA desaturase. Methods of using such derivatives to modulate the activity of stearoyl-CoA desaturase and pharmaceutical compositions comprising such derivatives are also encompassed.

  本发明提供了可以调节硬脂酰辅酶A去饱和酶活性的杂环衍生物。还包括使用这些衍生物来调节硬脂酰辅酶A去饱和酶活性的方法和包含这些衍生物的药物组合物。
• SCD1 inhibitors triazole and tetrazole compounds
  申请人：Novartis AG

  公开号：US08258160B2

  公开（公告）日：2012-09-04

  The present invention provides heterocyclic derivatives that modulate the activity of stearoyl-CoA desaturase. Methods of using such derivatives to modulate the activity of stearoyl-CoA desaturase and pharmaceutical compositions comprising such derivatives are also encompassed.

  本发明提供了调节硬脂酰辅酶A去饱和酶活性的杂环衍生物。还涵盖了使用这些衍生物来调节硬脂酰辅酶A去饱和酶活性的方法以及包含这些衍生物的药物组合物。
• KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES
  申请人：Deciphera Pharmaceuticals, LLC.

  公开号：EP2073811A2

  公开（公告）日：2009-07-01
• 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS
  申请人：Novartis AG

  公开号：EP2121671A1

  公开（公告）日：2009-11-25