(5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-benzotriazol-5-yl}methylidene)-3-(1H-tetrazol-5-ylmethyl)-1,3-thiazolidine-2,4-dione | 1351569-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: (5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-benzotriazol-5-yl}methylidene)-3-(1H-tetrazol-5-ylmethyl)-1,3-thiazolidine-2,4-dione
• 英文别名: (5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]benzotriazol-5-yl]methylidene]-3-(2H-tetrazol-5-ylmethyl)-1,3-thiazolidine-2,4-dione
• CAS: 1351569-36-2
• 化学式: C₂₀H₁₂ClF₃N₈O₂S
• 分子量: 520.882
• InChiKey: WMUIGCJRJZBERL-SOFYXZRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  148
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1-(4-chloro-2-trifluoromethylbenzyl)-1H-benzotriazole-5-carbaldehyde 、 3-(2H-tetrazol-5-ylmethyl)-thiazolidine-2,4-dione 生成 (5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-benzotriazol-5-yl}methylidene)-3-(1H-tetrazol-5-ylmethyl)-1,3-thiazolidine-2,4-dione
  参考文献：
  名称：

  SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS

  摘要：

  本发明涉及式（I）的化合物，制备这些化合物的方法，组合物，中间体和衍生物，以及治疗包括但不限于强直性脊柱炎，动脉硬化，关节炎（如类风湿性关节炎，感染性关节炎，儿童关节炎，银屑病性关节炎，反应性关节炎），与骨相关的疾病（包括与骨形成有关的疾病），乳腺癌（包括对抗雌激素治疗无效的乳腺癌），心血管疾病，软骨相关疾病（如软骨损伤/丧失，软骨退化以及与软骨形成有关的疾病），软骨发育不良，软骨肉瘤，慢性背部损伤，慢性支气管炎，慢性炎症性气道疾病，慢性阻塞性肺疾病，糖尿病，能量平衡失调的疾病，痛风，假性痛风，脂质代谢紊乱，代谢综合征，多发性骨髓瘤，肥胖症，骨关节炎，成骨不全症，骨转移性溶骨症，软骨软化症，骨质疏松症，帕吉特病，牙周病，多肌痛性类风湿，Reiter综合征，重复性应力损伤，高血糖，血糖水平升高和胰岛素抵抗等疾病的治疗。

  公开号：

  US20110294780A1

文献信息

• Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators
  申请人：Bignan Gilles

  公开号：US08796256B2

  公开（公告）日：2014-08-05

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及化合物I式，制备这些化合物的方法，组成物，中间体和衍生物以及治疗包括但不限于强直性脊柱炎，动脉粥样硬化，关节炎（如类风湿性关节炎，感染性关节炎，儿童关节炎，银屑病性关节炎，反应性关节炎），与骨相关的疾病（包括与骨形成有关的疾病），乳腺癌（包括对抗雌激素治疗无效的乳腺癌），心血管疾病，软骨相关疾病（如软骨损伤/丢失，软骨退化以及与软骨形成有关的疾病），软骨发育不良，软骨肉瘤，慢性背部损伤，慢性支气管炎，慢性炎症性气道疾病，慢性阻塞性肺疾病，糖尿病，能量稳态失调疾病，痛风，假性痛风，脂质代谢异常，代谢综合征，多发性骨髓瘤，肥胖症，骨关节炎，成骨不全症，骨转移性溶骨病，骨软化症，骨质疏松症，Paget病，牙周病，多肌痛性类风湿，Reiter综合征，重复性应力损伤，高血糖，血糖升高和胰岛素抵抗等疾病的方法。
• US8796256B2
  申请人：——

  公开号：US8796256B2

  公开（公告）日：2014-08-05
• [EN] SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS<br/>[FR] THIAZOLIDINEDIONE INDAZOLES, INDOLES ET BENZOTRIAZOLES SUBSTITUÉS UTILES EN TANT QUE MODULATEURS DES RÉCEPTEURS ? LIÉS AUX OESTROGÈNES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2011149841A1

  公开（公告）日：2011-12-01

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.