(S)-4-(3-chloro-4-methoxybenzylamino)-5-(methoxymethylcarbonyl)-2-(2-hydroxymethyl-1-pyrrolidinyl)pyrimidine | 330785-74-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (S)-4-(3-chloro-4-methoxybenzylamino)-5-(methoxymethylcarbonyl)-2-(2-hydroxymethyl-1-pyrrolidinyl)pyrimidine
• 英文别名: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-2-methoxyethanone
• CAS: 330785-74-5
• 化学式: C₂₀H₂₅ClN₄O₄
• 分子量: 420.896
• InChiKey: CUPPQUXJCANOHH-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  96.8
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Aromatic nitrogen-containing 6-membered cyclic compounds
  申请人：——

  公开号：US20030032647A1

  公开（公告）日：2003-02-13

  An aromatic nitrogen-containing 6-membered cyclic compound of the formula (I): 1 wherein Ring A is a substituted or unsubstituted nitrogen-containing heterocyclic group; R 1 is a substituted or unsubstituted lower alkyl group, —NH—Q—R 3 (R 3 is a substituted or unsubstituted nitrogen containing heterocyclic group, and Q is a lower alkylene group or a single bond), or —NH—R 4 (R 4 is a substituted or unsubstituted cycloalkyl group); R 2 is a substituted or unsubstituted aryl group; one of Y and Z is ═CH—, and the other is ═N—, or a pharmaceutically acceptable salt thereof, these compounds exhibiting excellent selective PDE V inhibitory activities, and hence, being useful in the prophylaxis or treatment of penile erectile dysfunction, etc.

  一种芳香性氮含量的6元环化合物，化学式为(I)：其中环A是取代或未取代的含氮杂环基团；R1是取代或未取代的较低烷基基团，-NH-Q-R3（R3是取代或未取代的含氮杂环基团，Q是较低烷基烃基团或单键），或-NH-R4（R4是取代或未取代的环烷基基团）；R2是取代或未取代的芳基团；Y和Z中的一个是═CH—，另一个是═N—，或其药学上可接受的盐，这些化合物表现出优异的选择性PDE V抑制活性，因此在预防或治疗阴茎勃起功能障碍等方面具有用处。
• Aromatic nitrogen-containig 6-membered cyclic compounds
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US20030229095A1

  公开（公告）日：2003-12-11

  An aromatic nitrogen-containing 6-membered cyclic compound of the formula (I): 1 wherein Ring A is a substituted or unsubstituted nitrogen-containing heterocyclic group; R 1 is a substituted or unsubstituted lower alkyl group, —NH—Q—R 3 (R 3 is a substituted or unsubstituted nitrogen containing heterocyclic group, and Q is a lower alkylene group or a single bond), or —NH—R 4 (R 4 is a substituted or unsubstituted cycloalkyl group); R 2 is a substituted or unsubstituted aryl group; one of Y and Z is ═CH—, and the other is ═N—, or a pharmaceutically acceptable salt thereof, these compounds exhibiting excellent selective PDE V inhibitory activities, and hence, being useful in the prophylaxis or treatment of penile erectile dysfunction, etc.

  一种含有芳香性质的氮，6元环化合物，化学式为(I):1，其中环A为取代或未取代的含氮杂环基团; R1为取代或未取代的低级烷基基团，-NH-Q-R3(R3为取代或未取代的含氮杂环基团，Q为低级亚烷基基团或单键)，或-NH-R4(R4为取代或未取代的环烷基基团)；R2为取代或未取代的芳基基团；Y和Z中的一个为═CH—，另一个为═N—或其药学上可接受的盐。这些化合物表现出优异的选择性PDE V抑制活性，因此在预防或治疗阴茎勃起功能障碍等方面具有用途。
• AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1219609B1

  公开（公告）日：2007-04-04
• US6656935B2
  申请人：——

  公开号：US6656935B2

  公开（公告）日：2003-12-02
• US6797709B2
  申请人：——

  公开号：US6797709B2

  公开（公告）日：2004-09-28