4-oxo-3,4-dihydro-1H-benzo[4,5]thieno[3,2-c]pyridine-1,2-dicarboxylic acid 2-tert-butyl ester 1-ethyl ester | 862306-19-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-oxo-3,4-dihydro-1H-benzo[4,5]thieno[3,2-c]pyridine-1,2-dicarboxylic acid 2-tert-butyl ester 1-ethyl ester
• 英文别名: 2-tert-Butyl 1-ethyl 4-oxo-3,4-dihydro-1H-benzo[4,5]thieno[3,2-c]pyridine-1,2-dicarboxylate；2-O-tert-butyl 1-O-ethyl 4-oxo-1,3-dihydro-[1]benzothiolo[3,2-c]pyridine-1,2-dicarboxylate
• CAS: 862306-19-2
• 化学式: C₁₉H₂₁NO₅S
• 分子量: 375.445
• InChiKey: GPIHHSKVLDWTRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-oxo-3,4-dihydro-1H-benzo[4,5]thieno[3,2-c]pyridine-1,2-dicarboxylic acid 2-tert-butyl ester 1-ethyl ester 在 甲醇 、 sodium tetrahydroborate 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 生成 O2-tert-butyl O1-ethyl 4-hydroxy-3,4-dihydro-1H-benzothiopheno[3,2-c]pyridine-1,2-dicarboxylate
  参考文献：
  名称：

  [DE] THIENO-IMINOSÄURE-DERIVATE ALS INHIBITOREN VON MATRIX-METALLOPROTEINASEN
  [EN] THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS
  [FR] DERIVES DE THIENO-IMINOACIDE EN TANT QU'INHIBITEURS DE METALLOPROTEINASES MATRICIELLES

  摘要：

  公开号：

  WO2005073236A3

文献信息

• THIENO-IMINO ACID DERIVATIVES FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS
  申请人：SCHUDOK Manfred

  公开号：US20070093482A1

  公开（公告）日：2007-04-26

  The invention is directed to a compound of the formula I wherein the variables are as defined herein, or a stereoisomeric form thereof, mixture of stereoisomeric forms, in any ratio, or a salt thereof. Another aspect of the present invention is directed to a pharmaceutical composition comprising, a pharmaceutically effective amount of one or more compounds of formula I according to claim 1 in admixture with a pharmaceutically acceptable carrier. The invention is also directed to a method for effecting the prophylaxis and therapy of degenerative joint diseases such as osteoarthroses, spondyloses, cartilage loss following joint trauma or a relatively long period of joint immobilization following meniscus or patella injuries or ligament ruptures, diseases of the connective tissue such as collagenoses, periodontal diseases, wound healing disturbances and chronic diseases of the locomotory apparatus such as inflammatory, immunological or metabolism-associated acute and chronic arthritides, arthropathies, myalgias and disturbances of bone metabolism, for the treatment of ulceration, atheroscleroses and stenoses, and for the treatment of inflammations, cancer diseases, tumor metastasis formation, cachexia, anorexia, cardiac insufficiency and septic shock or for the prophylaxis of myocardial and cerebral infarctions, in a patient in need thereof, comprising administering to the patient a pharmaceutically effective amount of the compound of formula I according to claim 1, or a pharmaceutically acceptable salt, solvate or prodrug thereof. Furthermore the invention is directed to a method for preparing a compound of formula I.

  本发明涉及一种公式I的化合物，其中变量如此处所定义，或其立体异构体形式，立体异构体混合物，以任何比例，或其盐。另一个方面的本发明涉及一种制药组合物，该制药组合物包括根据权利要求1的公式I中的一个或多个化合物的药学有效量与药学可接受的载体混合。本发明还涉及一种用于预防和治疗退行性关节疾病，如骨关节炎、脊椎病、关节创伤后软骨丢失或关节固定期较长时间内的髁盖板或髌骨损伤或韧带断裂、结缔组织疾病如胶原病、牙周病、创伤愈合障碍和运动器官的慢性疾病，如炎症、免疫或代谢相关的急性和慢性关节炎、关节病、肌痛和骨代谢障碍的方法，用于溃疡、动脉粥样硬化和狭窄的治疗，以及用于炎症、癌症、肿瘤转移形成、消瘦、厌食、心力衰竭和脓毒性休克的治疗或预防心肌和脑梗死的方法，包括向患者施用根据权利要求1的公式I的药学有效量或其药学可接受的盐、溶剂或前药。此外，本发明还涉及一种制备公式I化合物的方法。
• US7399770B2
  申请人：——

  公开号：US7399770B2

  公开（公告）日：2008-07-15