3-[4-(3-chloro-4-methoxybenzylamino)benzothieno[2,3-d]pyrimidin-2-yl]-propionitrile | 329927-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-[4-(3-chloro-4-methoxybenzylamino)benzothieno[2,3-d]pyrimidin-2-yl]-propionitrile
• 英文别名: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanenitrile
• CAS: 329927-89-1
• 化学式: C₂₁H₁₇ClN₄OS
• 分子量: 408.911
• InChiKey: ZRWXXNHVDBFQAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[4-(3-chloro-4-methoxybenzylamino)-benzothieno[2,3-d]pyrimidin-2-yl]propionamide 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 3-[4-(3-chloro-4-methoxybenzylamino)benzothieno[2,3-d]pyrimidin-2-yl]-propionitrile
  参考文献：
  名称：

  Thienopyrimidines as phosphodiesterase inhibitors

  摘要：

  公式I中的噻唑嘧啶及其生理上可接受的盐，其中R1、R2和X的含义如权利要求书1所示，表现出磷酸二酯酶V抑制作用，并可用于治疗心血管系统疾病以及治疗和/或治疗性功能障碍。

  公开号：

  US06787548B1

文献信息

• Use of pde v inhibitors
  申请人：——

  公开号：US20030022906A1

  公开（公告）日：2003-01-30

  The invention relates to the use of a highly penis-specific PDE V inhibitor, or a physiologically acceptable salt or solvate thereof, for the production of a medicament for the treatment of erectile dysfunction in males, without the previous circulatory side effects caused by PDE V inhibitors, in particular, with concomitant administration of vasodilators, whose mode of action is by means of the NO/cGMP system.

  本发明涉及使用高度特异性于阴茎的PDE V抑制剂，或其生理上可接受的盐或溶剂，用于制备治疗男性勃起功能障碍的药物，而不会出现以前由PDE V抑制剂引起的循环副作用，特别是在同时给予通过NO / cGMP系统发挥作用的血管扩张剂的情况下。
• Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates
  申请人：——

  公开号：US20040077664A1

  公开（公告）日：2004-04-22

  Pharmaceutical preparation comprising at least one phosphodiesterase V inhibitor and at least one nitrate for the preparation of a medicament for the treatment of angina, high blood pressure, pulmonary hypertension, congestive heart failure (CHF), chronic obstructive pulmonary disease (COPD), cor pulmonale, dextrocardiac insufficiency, atherosclerosis, conditions of reduced patency of the heart vessels, peripheral vascular diseases, strokes, bronchitis, allergic asthma, chronic asthma, allergic rhinitis, glaucoma, irritable bowel syndrome, tumours, renal insufficiency and liver cirrhosis.

  含有至少一种磷酸二酯酶V抑制剂和至少一种硝酸盐的药物制剂，用于制备治疗心绞痛、高血压、肺动脉高压、充血性心力衰竭（CHF）、慢性阻塞性肺疾病（COPD）、肺心病、右心衰竭、动脉粥样硬化、心血管通路通畅度降低、外周血管疾病、中风、支气管炎、过敏性哮喘、慢性哮喘、过敏性鼻炎、青光眼、肠易激综合征、肿瘤、肾功能不全和肝硬化的药物。
• Pharmaceutical formulation comprising thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives (2)
  申请人：——

  公开号：US20040058940A1

  公开（公告）日：2004-03-25

  The invention relates to a pharmaceutical formulation containing at least one compound of formula (1) wherein R 1 , R 2 , and X have the same meaning as cited in claim 1, and the physiologically acceptable salts thereof and/or solvates and a) at least one antithrombotic or b) at least one calcium antagonist or c) at least one prostaglandin or prostaglandin derivative for producing a medicament for treating angina, high blood pressure, pulmonary hypertension, congestive heart failure (CHF), chronic obstructive pulmonary disease (COPD), pulmonary heart disease, right ventricular failure, atheriosclerosis, permeability conditions of reduced cardiovascular patency, peripheral vascular illnesses, cerebral apoplexy, bronchitis, allergic asthma, chronic asthma, allergic rhinitis, glaucoma, irritable bowel syndrome, tumours, kidney failure, cirrhosis of the liver and for treating female sexual problems. 1

  本发明涉及一种药物配方，其中包含至少一种式（1）化合物，其中R1、R2和X的含义与权利要求1中所述相同，以及生理上可接受的盐和/或溶剂，a）至少一种抗血栓药物或b）至少一种钙拮抗剂或c）至少一种前列腺素或前列腺素衍生物，用于制备用于治疗心绞痛、高血压、肺动脉高压、充血性心力衰竭（CHF）、慢性阻塞性肺疾病（COPD）、肺心病、右心室衰竭、动脉粥样硬化、心血管通路减少的渗透性疾病、周围血管疾病、脑卒中、支气管炎、过敏性哮喘、慢性哮喘、过敏性鼻炎、青光眼、肠易激综合症、肿瘤、肾衰竭、肝硬化以及治疗女性性问题的药物。
• Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists
  申请人：——

  公开号：US20040063731A1

  公开（公告）日：2004-04-01

  Pharmaceutical preparation comprising at least one phosphodiesterase V inhibitor have, and/or physiologically acceptable salts and/or solvates thereof and at least one endothelin receptor antagonist for the preparation of a medicament for the treatment of angina, high blood pressure, high pulmonary pressure, congestive heart failure (CHF), chronic obstructive pulmonary disease (COPD), cor pulmonale, dextrocardiac insufficiency, atherosclerosis, conditions of reduced patency of the heart vessels, peripheral vascular diseases, strokes, bronchitis, allergic asthma, chronic asthma, allergic rhinitis, glaucoma, irritable bowel syndrome, tumours, renal insufficiency, liver cirrhosis, erectile dysfunction and for the treatment of female sexual disorders.

  含有至少一种磷酸二酯酶V抑制剂，和/或其生理上可接受的盐和/或溶剂，以及至少一种内皮素受体拮抗剂的制药制剂，用于制备治疗心绞痛、高血压、高肺动脉压、充血性心力衰竭（CHF）、慢性阻塞性肺疾病（COPD）、肺心病、右心衰竭、动脉粥样硬化、心血管疾病血管通透性降低、周围血管疾病、中风、支气管炎、过敏性哮喘、慢性哮喘、过敏性鼻炎、青光眼、肠易激综合征、肿瘤、肾功能不全、肝硬化、勃起功能障碍和治疗女性性功能障碍的药物。
• Condensed thienopyrimidines with phosphodiesterase-v inhibiting action
  申请人：Merck Patent Gesellschaft mit beschraenkter Haftung

  公开号：US06495557B1

  公开（公告）日：2002-12-17

  Thienopyrimidines of the formula I and their physiologically acceptable salts, in which R1, R2 and X have the meanings given in claim 1, inhibit phosphodiesterase V and can be employed for the treatment of illnesses of the cardiovascular system and for the treatment and/or therapy of impaired potency.

  公式I中的噻唑嘧啶及其生理上可接受的盐，其中R1、R2和X的含义如权利要求1所述，能够抑制磷酸二酯酶V，并可用于治疗心血管系统疾病以及治疗和/或治疗性功能障碍。