(S)-2-(2-hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-[N-(5-pyrimidinylmethyl)carbamoyl]-pyrimidine;

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (S)-2-(2-hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-[N-(5-pyrimidinylmethyl)carbamoyl]-pyrimidine
• 英文别名: (S)-2-(2-hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-[N-(5-pyrimidinylmethyl)carbamoyl]pyrimidine；4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-5-ylmethyl)pyrimidine-5-carboxamide
• 化学式: C₂₃H₂₆ClN₇O₃
• 分子量: 483.958
• InChiKey: AMUQMYUCCDGCBH-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  S)-4-(3-氯-4-甲氧基苯氨基)-5-羧基-2-(2-羟甲基-1-吡咯基)嘧啶 、 5-嘧啶甲胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 (S)-2-(2-hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-[N-(5-pyrimidinylmethyl)carbamoyl]-pyrimidine;
  参考文献：
  名称：

  TABLETS QUICKLY DISINTEGRATED IN ORAL CAVITY

  摘要：

  公开号：

  EP1366760B1

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。
• Preparations for oral administration
  申请人：——

  公开号：US20030195220A1

  公开（公告）日：2003-10-16

  The present invention provides a preparation for oral administration containing a medicinal substance having cGMP-specific phosphodiesterase inhibitory activity and showing decrease of solubility in the neutral and alkaline regions, wherein an acidic substance is compounded promote the dissolution of the medicinal substance in digestive tract and thus the efficacy can be expressed at the early stage after administration, and which preparation is useful in treatment of erectile dysfunction.

  本发明提供了一种口服制剂，包含一种具有cGMP特异性磷酸二酯酶抑制活性的药物物质，且在中性和碱性区域的溶解度降低，其中复合了酸性物质以促进药物物质在消化道中的溶解，从而在给药后的早期阶段表现出疗效，该制剂在治疗勃起功能障碍方面有用。
• 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。
• Tablets quickly disintegrated in oral cavity
  申请人：——

  公开号：US20040109890A1

  公开（公告）日：2004-06-10

  Intraorally rapidly disintegrating tablets which, when ingested, disintegrates in the oral cavity rapidly without presenting unpleasant taste, can be quickly absorbed in the digestive tract and express efficacy are provided. The intraorally rapidly disintegrating tablets contain a drug being hardly water-soluble under neutral or alkaline conditions and being highly water-soluble under acidic conditions yet presenting unpleasant taste, which tablets can be prepared by combining the medicinal substance with a water-soluble acidic substance, coating either or both of the substances with a water-soluble coating agent being insoluble in alcoholic solvent, further adding a water-soluble binding agent being soluble in alcoholic solvent and a water-soluble saccharide, subjecting the resultant mixture to compression, and treating the products with an alcoholic solvent.

  提供了一种口腔内快速分解片剂，当摄入时，可以在口腔内迅速分解而不产生不愉快的味道，可以快速被消化道吸收并表现出疗效。这些口腔内快速分解片剂含有一种药物，在中性或碱性条件下几乎不溶于水，在酸性条件下高度溶于水但呈不愉快的味道，这些片剂可以通过将药物物质与水溶性酸性物质结合，用不溶于酒精溶剂的水溶性包衣剂涂覆其中一种或两种物质，进一步添加可溶于酒精溶剂的水溶性粘结剂和水溶性糖，并将所得混合物压缩，并用酒精溶剂处理产物而制备得到。
• PREPARATIONS FOR ORAL ADMINISTRATION
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1316316A1

  公开（公告）日：2003-06-04

  The present invention provides a preparation for oral administration containing a medicinal substance having cGMP-specific phosphodiesterase inhibitory activity and showing decrease of solubility in the neutral and alkaline regions, wherein an acidic substance is compounded promote the dissolution of the medicinal substance in digestive tract and thus the efficacy can be expressed at the early stage after administration, and which preparation is useful in treatment of erectile dysfunction.

  本发明提供了一种口服制剂，该制剂含有一种具有 cGMP 特异性磷酸二酯酶抑制活性且在中性和碱性区域溶解度降低的药物，其中复配的酸性物质可促进药物在消化道中的溶解，从而在用药后的早期阶段就能发挥药效，该制剂可用于治疗勃起功能障碍。