t-butyl 1-benzyloxycarbonylhexahydropyridazine-3-carboxylate | 81383-49-5

• 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: t-butyl 1-benzyloxycarbonylhexahydropyridazine-3-carboxylate
• 英文别名: 5,6-Dihydro-1,3(2H,4H)-pyridazinedicarboxylic acid, 3-(1,1-dimethylethyl)-1-(phenylmethyl)ester；Tetrahydro-pyridazine-1,3-dicarboxylic acid 1-benzyl ester 3-tert-butyl ester；tert-butyl 1-(benzyloxycarbonyl)hexahydro-3-pyridazinecarboxylate；tert.butyl 1-(benzyloxycarbonyl)hexahydro-3-pyridazinecarboxylate；t-Butyl-1-(benzyloxycarbonyl)-hexahydro-3-pyridazine-carboxylate；t-Butyl-1-(benzyloxycarbonyl)-hexahydro-3-pyridazinecarboxylate；1-O-benzyl 3-O-tert-butyl diazinane-1,3-dicarboxylate
• CAS: 81383-49-5
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: DOUUPKDLDFXKDX-UHFFFAOYSA-N

物化性质

• 沸点：
  415.3±55.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  t-butyl 1-benzyloxycarbonylhexahydropyridazine-3-carboxylate 在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 tert-butyl 2-(2-ethoxycarbonyl-2-methylacetyl)-hexahydropyridazine-3-carboxylate
  参考文献：
  名称：

  Hassall, Cedric H.; Kroehn, Antonin; Moody, Cristopher J., Journal of the Chemical Society. Perkin transactions I, 1984, # 2, p. 155 - 164

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(苄氧羰基)六氢哒嗪-3-甲酸 、 异丁烯 生成 t-butyl 1-benzyloxycarbonylhexahydropyridazine-3-carboxylate
  参考文献：
  名称：

  Hassall, Cedric H.; Kroehn, Antonin; Moody, Cristopher J., Journal of the Chemical Society. Perkin transactions I, 1984, # 2, p. 155 - 164

  摘要：

  DOI：

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。
• Inhibitors of interleukin-1.beta. converting enzyme
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US05874424A1

  公开（公告）日：1999-02-23

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1.beta. converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against an IL-1 mediated disease, an apoptosis mediated disease, AML, CML, melanoma, myeloma, Kaposi's sarcoma, graft vs host disease, rheumatoid arthritis, inflammatory bowel disorder, psoriasis, osteoarthritis, myeloma, apoptosis, sepsis, rheumatoid arthritis, asthma, Alzheimer's disease, Parkinson's disease, and ischemic heart disease diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一类新型化合物，这些化合物是白细胞介素-1β转化酶的抑制剂。本发明的ICE抑制剂具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制ICE活性，因此可以有利地用作对抗IL-1介导疾病、凋亡介导疾病、AML、CML、黑色素瘤、骨髓瘤、卡波西肉瘤、移植物抗宿主病、类风湿性关节炎、炎症性肠病、牛皮癣、骨关节炎、骨髓瘤、凋亡、败血症、类风湿性关节炎、哮喘、阿尔茨海默病、帕金森病和缺血性心脏病等疾病的药剂。本发明还涉及抑制ICE活性的方法以及使用本发明的化合物和组合物治疗白细胞介素-1介导疾病的方法。
• Inhibitors of interleukin-1&bgr; Converting enzyme inhibitors
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US06204261B1

  公开（公告）日：2001-03-20

  The present invention relates to pyradazino[1,2-a][1,2]diazepine-1-carboxamide compounds of formula: which compounds are inhibitors of interleukin-1beta converting enzyme.

  这项发明涉及公式如下的吡啶并[1,2-a][1,2]二氮杂环庚烷-1-羧酰胺化合物，这些化合物是白细胞介素-1β转化酶的抑制剂。
• Inhibitors of interleukin-1beta converting enzyme
  申请人：Batchelor James Mark

  公开号：US20050143436A1

  公开（公告）日：2005-06-30

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1β converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against IL-1-, apoptosis-, IGIF-, and IFN-γ-mediated diseases, inflammatory diseases, autoimmune diseases, destructive bone disorders, proliferative disorders, infectious diseases, degenerative diseases, and necrotic diseases. This invention also relates to methods for inhibiting ICE activity, for treating interleukin-1-, apoptosis-, IGIF- and IFN-γ-mediated diseases and decreasing IGIF and IFN-γ production using the compounds and compositions of this invention. This invention also relates to methods for preparing N-acylamino compounds.

  本发明涉及一类新型化合物，这些化合物是白细胞介素-1β转化酶的抑制剂。本发明的ICE抑制剂具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制ICE活性，因此可以有利地用作对抗IL-1、凋亡、IGIF和IFN-γ介导的疾病、炎症性疾病、自身免疫疾病、破坏性骨疾病、增生性疾病、传染性疾病、退行性疾病和坏死性疾病的药剂。本发明还涉及抑制ICE活性的方法，用于治疗白细胞介素-1、凋亡、IGIF和IFN-γ介导的疾病，以及使用本发明的化合物和组合物减少IGIF和IFN-γ的产生的方法。本发明还涉及制备N-酰氨基化合物的方法。
• Substituted azepinone dual inhibitors of angiotensin converting enzyme
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US05552397A1

  公开（公告）日：1996-09-03

  Compounds of the formula ##STR1## are disclosed as possessing inhibitory activity against angiotensin converting enzyme (ACE) and neutral endopeptidase (NEP) and thus being useful as cardiovascular agents. Processes for preparing these compounds are also disclosed.

  公式##STR1##的化合物被披露具有抑制血管紧张素转换酶（ACE）和中性内肽酶（NEP）活性的特性，因此可用作心血管药物。同时也披露了制备这些化合物的方法。