Dicyclohexylamine 3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoate | 81306-94-7

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 丙氨酸类衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Dicyclohexylamine 3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoate
• 英文别名: N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
• CAS: 81306-94-7
• 化学式: C28H45N3O6
• 分子量: 519.7
• InChiKey: RPWGTQRQPVPFKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  7

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  Dicyclohexylamine 3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoate 、 (S)-(3-tert-butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine)-1-acetic acid methyl ester 以to give 3.68 g (quant.) as a dark solid的产率得到2-tert-Butoxycarbonylamino-3-(3-aminopyridin-2-ylamino)-propionic acid
  参考文献：
  名称：

  Inhibitors of interleukin-1.beta. converting enzyme

  摘要：

  本发明涉及一种新型化合物类别，其为白细胞介素-1β转化酶抑制剂。本发明的ICE抑制剂具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制ICE活性，因此可作为对抗白细胞介素-1介导疾病、凋亡介导疾病、急性髓性白血病、慢性髓性白血病、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、银屑病、骨关节炎、凋亡、败血症、哮喘、阿尔茨海默病、帕金森病和缺血性心脏病等疾病的药物。本发明还涉及使用这些化合物和组合物抑制ICE活性以及治疗白细胞介素-1介导疾病的方法。

  公开号：

  US05874424A1

文献信息

• Inhibitors of interleukin-1beta converting enzyme
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20030225269A1

  公开（公告）日：2003-12-04

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1&bgr; 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-&ggr;-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-&ggr;-mediated diseases and decreasing IGIF and IFN-&ggr; production using the compounds and compositions of this invention. This invention also relates to methods for preparing N-acylamino compounds.

  本发明涉及一种新的化合物类别，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物理化学特征。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合于抑制ICE活性，因此可以作为IL-1、凋亡、IGIF和IFN-γ介导的疾病、炎症性疾病、自身免疫性疾病、破坏性骨病、增生性疾病、感染性疾病、退行性疾病和坏死性疾病的药物。本发明还涉及使用这些化合物和组合物抑制ICE活性、治疗白细胞介素-1β、凋亡、IGIF和IFN-γ介导的疾病、降低IGIF和IFN-γ的产生的方法。本发明还涉及制备N-酰基氨基化合物的方法。
• Inhibitors of interleukin-1.beta. converting enzyme
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US06008217A1

  公开（公告）日：1999-12-28

  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.

  本发明涉及一种新型化合物类，其为白细胞介素-1β转化酶的抑制剂。本发明中的ICE抑制剂具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物非常适合用作抑制ICE活性的药物，并因此可以作为对抗IL-1介导的疾病、凋亡介导的疾病、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物。本发明还涉及使用这些化合物和组合物抑制ICE活性以及治疗IL-1介导的疾病的方法。
• Inhibitors of Interleukin-1&bgr; converting enzyme
  申请人：Vertex Pharmaceuticals, Incorporated

  公开号：US06258948B1

  公开（公告）日：2001-07-10

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-IB 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-&ggr;-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-&ggr;-mediated diseases and decreasing IGIF and IFN-&ggr; production using the compounds and compositions of this invention. This invention also relates to methods for preparing N-acylamino compounds.

  本发明涉及一种新型的化合物类别，它们是白细胞介素-1β转化酶的抑制剂。本发明的ICE抑制剂具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制ICE活性，因此可以作为对抗IL-1、凋亡、IGIF和IFN-γ介导的疾病、炎症性疾病、自身免疫性疾病、骨质破坏性疾病、增生性疾病、传染性疾病、退行性疾病和坏死性疾病的药物。本发明还涉及使用本发明的化合物和组合物抑制ICE活性、治疗白细胞介素-1β、凋亡、IGIF和IFN-γ介导的疾病、以及减少IGIF和IFN-γ的产生的方法。本发明还涉及制备N-酰胺化合物的方法。
• 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.

  本发明涉及式子如下的吡咯二氮杂[1,2-a][1,2]二氮平-1-羧酰胺类化合物，该化合物是白细胞介素-1β转化酶的抑制剂。
• BINDER-KONJUGATE (ADCS) MIT KSP-INHIBITOREN
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3086814B1

  公开（公告）日：2020-06-24