8-amino-7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3,7-dihydro-3-(2-hydroxyethyl)-1H-purine-2,6-dione | 834869-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-amino-7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3,7-dihydro-3-(2-hydroxyethyl)-1H-purine-2,6-dione
• 英文别名: 8-Amino-7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3-(2-hydroxyethyl)purine-2,6-dione
• CAS: 834869-46-4
• 化学式: C₁₇H₂₀BrN₅O₄
• 分子量: 438.281
• InChiKey: RMGKTVLHPBOZTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-bromo-1-ethyl-3-[2-(acetyloxy)ethyl]-3,7-dihydro-7-[(3-bromo-4-methoxyphenyl)methyl]-1H-Purine-2,6-dione 在 氨 、 氯化铵 作用下， 以 乙醇 为溶剂， 反应 216.0h， 生成 8-amino-7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-3,7-dihydro-3-(2-hydroxyethyl)-1H-purine-2,6-dione
  参考文献：
  名称：

  Metabolite of xanthine phosphodiesterase 5 inhibitor and derivatives thereof useful for treatment of erectile dysfunction

  摘要：

  本发明涉及黄嘌呤磷酸二酯酶5型抑制剂的代谢产物，具有以下结构衍生物及其配方，以及制备上述化合物的方法。进一步公开的是治疗患者的生理紊乱、症状或疾病的方法，包括向患者施用上述化合物的有效量，其中生理紊乱、症状或疾病是泌尿生殖系统、心血管系统、脑血管系统或外周血管系统紊乱、心绞痛、高血压、血管成形术后再狭窄、动脉内膜切除术、支架植入、脑卒中、呼吸道紊乱（如与特应性皮炎相关的过敏症状）、肺动脉高压、缺血性心脏疾病、糖耐量受损、糖尿病及其相关并发症、胰岛素抵抗综合征、高血糖、多囊卵巢综合征、肾小球疾病、肾功能不全、肾炎、肾小管间质疾病、自身免疫性疾病、青光眼、肠道运动障碍、虚弱或癌症。

  公开号：

  US20050026939A1

文献信息

• METABOLITE OF XANTHINE PHOSPHODIESTERASE 5 INHIBITOR AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF ERECTILE DYSFUNCTION
  申请人：SCHERING CORPORATION

  公开号：EP1648895A1

  公开（公告）日：2006-04-26
• US7312223B2
  申请人：——

  公开号：US7312223B2

  公开（公告）日：2007-12-25
• [EN] METABOLITE OF XANTHINE PHOSPHODIESTERASE 5 INHIBITOR AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF ERECTILE DYSFUNCTION<br/>[FR] METABOLITE DE L'INHIBITEUR DE XANTHINE PHOSPHODIESTERASE 5 ET DERIVES DE CE METABOLITE, UTILES DANS LE TRAITEMENT DE LA DYSERECTION
  申请人：SCHERING CORP

  公开号：WO2005012303A1

  公开（公告）日：2005-02-10

  The present invention is directed to a metabolite of a xanthine Phosphodiesterase type 5 inhibitor having the following structure derivatives, and formulations thereof, and processes for preparing the same. Further disclosed are methods of treating a physiological disorder, symptom or disease in a patient, comprising administering to the patient an effective amount of the above compound, wherein the physiological disorder, symptom or disease is a urogenital, cardiovascular, cerebrovascular or peripheral vascular disorder, angina pectoris, hypertension, restenosis post angioplasty, endarterectomy, stent introduction, cerebral stroke, a respiratory tract disorder such as an allergic condition associated with atopy, pulmonary hypertension, an ischemic heart disorder, impaired glucose tolerance, diabetes and its related complication, insulin resistance syndrome, hyperglycemia, polycystic ovarian syndrome, a glomerular disorder, renal insufficiency, nephritis, a tubular interstitial disorder, an autoimmune disorder, glaucoma, intestinal motility, cachexia or cancer.
• Metabolite of xanthine phosphodiesterase 5 inhibitor and derivatives thereof useful for treatment of erectile dysfunction
  申请人：Ghosal Anima

  公开号：US20050026939A1

  公开（公告）日：2005-02-03

  The present invention is directed to a metabolite of a xanthine Phosphodiesterase type 5 inhibitor having the following structure derivatives, and formulations thereof, and processes for preparing the same. Further disclosed are methods of treating a physiological disorder, symptom or disease in a patient, comprising administering to the patient an effective amount of the above compound, wherein the physiological disorder, symptom or disease is a urogenital, cardiovascular, cerebrovascular or peripheral vascular disorder, angina pectoris, hypertension, restenosis post angioplasty, endarterectomy, stent introduction, cerebral stroke, a respiratory tract disorder such as an allergic condition associated with atopy, pulmonary hypertension, an ischemic heart disorder, impaired glucose tolerance, diabetes and its related complication, insulin resistance syndrome, hyperglycemia, polycystic ovarian syndrome, a glomerular disorder, renal insufficiency, nephritis, a tubular interstitial disorder, an autoimmune disorder, glaucoma, intestinal motility, cachexia or cancer.

  本发明涉及黄嘌呤磷酸二酯酶5型抑制剂的代谢产物，具有以下结构衍生物及其配方，以及制备上述化合物的方法。进一步公开的是治疗患者的生理紊乱、症状或疾病的方法，包括向患者施用上述化合物的有效量，其中生理紊乱、症状或疾病是泌尿生殖系统、心血管系统、脑血管系统或外周血管系统紊乱、心绞痛、高血压、血管成形术后再狭窄、动脉内膜切除术、支架植入、脑卒中、呼吸道紊乱（如与特应性皮炎相关的过敏症状）、肺动脉高压、缺血性心脏疾病、糖耐量受损、糖尿病及其相关并发症、胰岛素抵抗综合征、高血糖、多囊卵巢综合征、肾小球疾病、肾功能不全、肾炎、肾小管间质疾病、自身免疫性疾病、青光眼、肠道运动障碍、虚弱或癌症。