tert.butyl 8(S)-[1(R)-ethoxycarbonyl-3-phenylpropylamino]-2,3,6,7,8,9-hexahydro-5,9-dioxo-1H,5H-pyrazolo[1,2-a][1,2]diazepine-1(S)-carboxylate | 88768-29-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert.butyl 8(S)-[1(R)-ethoxycarbonyl-3-phenylpropylamino]-2,3,6,7,8,9-hexahydro-5,9-dioxo-1H,5H-pyrazolo[1,2-a][1,2]diazepine-1(S)-carboxylate
• 英文别名: tert-butyl (3S,6S)-6-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5,9-dioxo-1,2,3,6,7,8-hexahydropyrazolo[1,2-a]diazepine-3-carboxylate
• CAS: 88768-29-0
• 化学式: C₂₅H₃₅N₃O₆
• 分子量: 473.569
• InChiKey: OKKYULUPNNEXOB-ZCNNSNEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tert.butyl 8(S)-amino-2,3,6,7,8,9-hexahydro-5,9-dioxo-1H,5H-pyrazolo[1,2-a][1,2]diazepine-1(S)-carboxylate 、 2-氧代-4-苯基丁酸乙酯 在 钯 silica gel 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以to give 0.18 g of tert.butyl 8(S)-[1(R)-ethoxycarbonyl-3-phenylpropylamino]-2,3,6,7,8,9-hexahydro-5,9-dioxo-1H,5H-pyrazolo[1,2-a][1,2]diazepine-1(S)-carboxylate in the form of a pale yellow oil and subsequently 0.19 g of tert.butyl 8(S)-[1(S)-ethoxycarbonyl-3-phenylpropylamino]-2,3,6,7,8,9-hexahydro-5,9-dioxo-1H,5H-pyrazolo[1,2-a][1,2]diazepine-1(S)-carboxylate in the form of a pale yellow oil的产率得到tert.butyl 8(S)-[1(R)-ethoxycarbonyl-3-phenylpropylamino]-2,3,6,7,8,9-hexahydro-5,9-dioxo-1H,5H-pyrazolo[1,2-a][1,2]diazepine-1(S)-carboxylate
  参考文献：
  名称：

  Anthypertensive pyridazo [1,2-a][1,2]diazepines

  摘要：

  该式的新化合物：##STR1## 其中B代表甲亚基、乙亚基或乙烯基；R.sup.1代表氢原子或烷基、芳基烷基、氨基烷基、单烷基氨基烷基、二烷基氨基烷基、酰基氨基烷基、邻苯二酰亚氨基烷基、烷氧羰基亚氨基烷基、芳氧羰基亚氨基烷基、芳基烷氧羰基亚氨基烷基、烷基氨基羰基亚氨基烷基、芳基氨基羰基亚氨基烷基、芳基烷基氨基羰基亚氨基烷基、烷基磺酰氨基亚氨基烷基或芳基磺酰氨基亚氨基烷基；R.sup.2代表羧基、烷氧羰基或芳基烷氧羰基或式子##STR2## 的基团；R.sup.3代表羧基、烷氧羰基或芳基烷氧羰基；R.sup.4和R.sup.5分别代表氢原子或R.sup.4和R.sup.5一起代表氧代基；R.sup.6和R.sup.7分别代表氢原子或烷基或芳基烷基，或R.sup.6和R.sup.7与它们连接的氮原子一起代表一个5-元或6-元杂单环，该环可以包含进一步的氮原子或氧原子或硫原子；n代表0、1或2。这些化合物及其药学上可接受的盐具有降压活性，并可作为药物制剂使用。

  公开号：

  US04808713A1

文献信息

• Pyridazo[1,2-a][1,2]diazepines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04512924A1

  公开（公告）日：1985-04-23

  Novel compounds of the formula ##STR1## wherein B represents a methylene, ethylene or vinylene group, R.sup.1 represents a hydrogen atom or an alkyl, aralkyl, amino-alkyl, mono-alkylamino-alkyl, dialkylaminoalkyl, acylamino-alkyl, phthalimido-alkyl, alkoxycarbonylamino-alkyl, aryloxycarbonylamino-alkyl, aralkoxycarbonylamino-alkyl, alkylaminocarbonylamino-alkyl, arylaminocarbonylamino-alkyl, aralkylaminocarbonylamino-alkyl, alkylsulphonylamino-alkyl or arylsulphonylamino-alkyl group, R.sup.2 represents a carboxyl, alkoxycarbonyl or aralkoxycarbonyl group or a group of the formula ##STR2## R.sup.3 represents a carboxyl, alkoxycarbonyl or aralkoxycarbonyl group, R.sup.4 and R.sup.5 each represent a hydrogen atom or R.sup.4 and R.sup.5 together represent an oxo group, R.sup.6 and R.sup.7 each represent a hydrogen atom or an alkyl or aralkyl group or R.sup.6 and R.sup.7 together with the nitrogen atom to which they are attached represent a 5-membered or 6-membered heteromonocyclic ring which may contain a further nitrogen atom or an oxygen or sulphur atom, and n stands for zero, 1 or 2, and pharmaceutically acceptable salts thereof have antihypertensive activity and can be used as medicaments in the form of pharmaceutical preparations.

  化合物的新颖化合物的公式为##STR1##其中B代表亚甲基、乙烯基或乙烯基，R.sup.1代表氢原子或烷基、芳基烷基、氨基烷基、单烷基氨基烷基、二烷基氨基烷基、酰胺基烷基、邻苯二甲酰胺基烷基、烷氧羰基氨基烷基、芳基氧羰基氨基烷基、芳基烷氧羰基氨基烷基、烷基氨基羰基氨基烷基、芳基氨基羰基氨基烷基、芳基烷基氨基羰基氨基烷基、烷基磺酰氨基烷基或芳基磺酰氨基烷基，R.sup.2代表羧基、烷氧羰基或芳基烷氧羰基或公式##STR2##的基团，R.sup.3代表羧基、烷氧羰基或芳基烷氧羰基，R.sup.4和R.sup.5各自代表氢原子或R.sup.4和R.sup.5一起代表氧基团，R.sup.6和R.sup.7各自代表氢原子或烷基或芳基或R.sup.6和R.sup.7与它们连接的氮原子一起代表一个含有进一步氮原子或氧原子或硫原子的5元或6元杂单环环，n代表零、1或2，以及其药学上可接受的盐具有降压活性，并可作为药物制剂的形式用作药物。
• Pyrazolo [1,2-a][1,2]-diazepines useful as antihypertensives
  申请人：Hoffmann-La Roche Inc.

  公开号：US04658024A1

  公开（公告）日：1987-04-14

  Novel compounds of the formula ##STR1## wherein B represents a methylene, ethylene or vinylene group, R.sup.1 represents a hydrogen atom or an alkyl, aralkyl, amino-alkyl, mono-alkylamino-alkyl, dialkylamino-alkyl, acylamino-alkyl, phthalimido-alkyl, alkoxycarbonylamino-alkyl, aryloxycarbonylamino-alkyl, aralkoxycarbonylamino-alkyl, alkylaminocarbonylamino-alkyl, arylaminocarbonylamino-alkyl, aralkylaminocarbonylamino-alkyl, alkylsulphonylamino-alkyl or arylsulphonylamino-alkyl group, R.sup.2 represents a carboxyl, alkoxycarbonyl or aralkoxycarbonyl group or a group of the formula ##STR2## R.sup.3 represents a carboxyl, alkoxycarbonyl or aralkoxycarbonyl group, R.sup.4 and R.sup.5 each represent a hydrogen atom or R.sup.4 and R.sup.5 together represent an oxo group, R.sup.6 and R.sup.7 each represent a hydrogen atom or an alkyl or aralkyl group or R.sup.6 and R.sup.7 together with the nitrogen atom to which they are attached represent a 5-membered or 6-membered heteromonocyclic ring which may contain a further nitrogen atom or an oxygen or sulphur atom, and n stands for zero, 1 or 2, and pharmaceutically acceptable salts thereof have antihypertensive activity and can be used as medicaments in the form of pharmaceutical preparations.

  该专利涉及一种化合物，其化学式为##STR1##其中B代表亚甲基、乙烯基或乙烯基基团，R.sup.1代表氢原子或烷基、芳基烷基、氨基烷基、单烷基氨基烷基、二烷基氨基烷基、酰胺基烷基、邻苯二酰亚胺基烷基、烷氧羰基氨基烷基、芳氧羰基氨基烷基、芳基烷氧羰基氨基烷基、烷基氨基羰基氨基烷基、芳基氨基羰基氨基烷基、芳基烷基氨基羰基氨基烷基、烷基磺酰氨基烷基或芳基磺酰氨基烷基，R.sup.2代表羧基、烷氧羰基或芳基烷氧羰基或式##STR2##R.sup.3代表羧基、烷氧羰基或芳基烷氧羰基，R.sup.4和R.sup.5各自代表氢原子或R.sup.4和R.sup.5共同代表氧代基，R.sup.6和R.sup.7各自代表氢原子或烷基或芳基烷基或R.sup.6和R.sup.7与它们附着的氮原子一起代表一个5-成员或6-成员的杂单环，其中可能包含进一步的氮原子或氧原子或硫原子，n代表零、1或2。这些化合物的药物可接受的盐具有降压活性，并可作为药物制剂使用。
• Pyridazo[1,2]pyridazines and pyrazolo[1,2]pyridazines as
  申请人：Hoffmann-La Roche Inc.

  公开号：US04772701A1

  公开（公告）日：1988-09-20

  Novel compounds of the formula ##STR1## wherein B represents a methylene, ethylene or vinylene group, R.sup.1 represents a hydrogen atom or an alkyl, aralkyl, amino-alkyl, mono-alkylamino-alkyl, dialkylamino-alkyl, acylamino-alkyl, phthalimido-alkyl, alkoxycarbonylamino-alkyl, aryloxycarbonylamino-alkyl, aralkoxycarbonylamino-alkyl, alkylaminocarbonylamino-alkyl, arylaminocarbonylamino-alkyl, aralkylaminocarbonylamino-alkyl, alkylsulphonyl-amino-alkly or arylsulphonylamino-alkyl group, R.sup.2 represents a carboxyl, alkoxycarbonyl or aralkoxycarbonyl carbonyl group or a group of the formula ##STR2## R.sup.3 represents a carboxyl, alkoxycarbonyl or aralykoxycarbonyl group, R.sup.4 and R.sup.5 each represent a hydrogen atom or R.sup.4 and R.sup.5 together represent an oxo group; R.sup.6 and R.sup.7 each represent a hydrogen atom or an alkyl or aralkyl group or R.sup.6 and R.sup.7 together with the nitrogen atom to which they are attached represent a 5-membered or 6-membered heteromonocyclic ring which may contain a further nitrogen atom or an oxygen or sulphur atom, and n stands for zero, 1 or 2, and pharmaceutically acceptable salts thereof have antihypertensive activity and can be used as medicaments in the form of pharmaceutical preparations.

  该专利描述了一种新的化合物，其化学式为：##STR1## 其中B代表甲基、乙烯或乙烯基基团，R1代表氢原子或烷基、芳基烷基、氨基烷基、单烷基氨基烷基、二烷基氨基烷基、酰胺基烷基、邻苯二甲酰亚胺基烷基、烷氧羰基酰胺基烷基、芳氧羰基酰胺基烷基、芳基烷氧羰基酰胺基烷基、烷基氨基羰基酰胺基烷基、芳基氨基羰基酰胺基烷基、芳基烷基氨基羰基酰胺基烷基、烷基磺酰氨基烷基或芳基磺酰氨基烷基基团，R2代表羧基、烷氧羰基或芳基烷氧羰基基团或式子##STR2## R3代表羧基、烷氧羰基或芳基烷氧羰基基团，R4和R5分别代表氢原子或R4和R5一起代表氧代基基团；R6和R7分别代表氢原子或烷基或芳基烷基，或R6和R7与它们连接的氮原子一起代表一个5-或6-成员的杂环，该杂环可以含有进一步的氮原子或氧原子或硫原子，n代表0、1或2。该化合物及其药学上可接受的盐具有降压活性，可以作为药物制剂使用。
• US4512924A
  申请人：——

  公开号：US4512924A

  公开（公告）日：1985-04-23
• US4658024A
  申请人：——

  公开号：US4658024A

  公开（公告）日：1987-04-14