methyl 3-[2-(1-tert-butoxycarbonylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]thiophene-2-carboxylate | 852370-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: methyl 3-[2-(1-tert-butoxycarbonylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]thiophene-2-carboxylate
• 英文别名: tert-butyl 4-[2-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]-5-pyrrolidin-1-ylphenoxy]piperidine-1-carboxylate
• CAS: 852370-67-3
• 化学式: C₂₇H₃₅N₃O₆S
• 分子量: 529.657
• InChiKey: BIVJFTMNUNUUBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl 3-[2-(1-tert-butoxycarbonylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]thiophene-2-carboxylate 在 氢氧化钾 、 水 作用下， 以 乙醇 为溶剂， 以94%的产率得到3-[2-(1-tert-butoxycarbonylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]thiophene-2-carboxylic acid
  参考文献：
  名称：

  [EN] ANTITHROMBOTIC AROMATIC ETHERS
  [FR] ETHERS AROMATIQUES ANTITHROMBOTIQUES

  摘要：

  公开号：

  WO2005049604A3
• 作为产物：
  描述：

  Methyl 3-[2-(1-tert-butoxy-carbonylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]-thiophene-2-carboxylate 、 2-(1-tert-butoxycarbonylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoic acid 、 3-氨基-2-噻吩甲酸甲酯 生成 methyl 3-[2-(1-tert-butoxycarbonylpiperidin-4-yloxy)-4-(pyrrolidin-1-yl)benzoylamino]thiophene-2-carboxylate
  参考文献：
  名称：

  Antithrombotic aromatic ethers

  摘要：

  本申请涉及化合物I的配方（或其前药或其药学上可接受的盐或前药的药物组成物），如此处所定义，其用作因子Xa和/或凝血酶的抑制剂，以及其制备过程和其中间体。

  公开号：

  US20070027185A1

文献信息

• [EN] 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] DERIVES AMIDES DE L'ACIDE CARBOXYLIQUE DE 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE 3 ET COMPOSES ASSOCIES EN TANT QU'ANTAGONISTES DE RECEPTEUR DE B1 DE LA BRADYKININE POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：ELAN PHARM INC

  公开号：WO2004098589A1

  公开（公告）日：2004-11-18

  Disclosed are compounds of formula I and II that are bradykinin B1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  公开的是化合物I和II的结构式，它们是激肽酶B1受体拮抗剂，适用于治疗哺乳动物中由激肽酶B1受体介导的疾病，或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计还将表现出延长作用的特性。
• [EN] HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY alpha4 INTEGRINS<br/>[FR] COMPOSES HETEROCYCLIQUES INHIBITEURS DE L'ADHESION LEUCOCYTAIRE PROVOQUEE PAR DES INTEGRINES DOLLAR G(A)4
  申请人：ELAN PHARM INC

  公开号：WO2003099809A1

  公开（公告）日：2003-12-04

  Disclosed are compounds which bind α4 integrins, preferably VLA-4. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by α4 integrins, preferably VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本文披露了结合α4整合素的化合物，最好是VLA-4。其中某些化合物还抑制白细胞粘附，特别是由α4整合素介导的白细胞粘附，最好是VLA-4。这些化合物在治疗哺乳动物患者（例如人类）的炎症性疾病中很有用，如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物也可用于治疗炎症性脑部疾病，如多发性硬化症。
• EP1507775A4
  申请人：——

  公开号：EP1507775A4

  公开（公告）日：2006-05-24
• HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA4 INTEGRINS
  申请人：Elan Pharmaceuticals, Inc.

  公开号：EP1507775A1

  公开（公告）日：2005-02-23
• 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP1633348A1

  公开（公告）日：2006-03-15