5-(叔丁氧羰基)氮杂环庚烷-2-羧酸 | 1214824-64-2

• 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
• 中文名称: 5-(叔丁氧羰基)氮杂环庚烷-2-羧酸
• 英文名称: 1-(tert-Butoxycarbonyl)-1,4-diazepane-5-carboxylic acid
• 英文别名: 1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-5-carboxylic acid
• CAS: 1214824-64-2
• 化学式: C₁₁H₂₀N₂O₄
• 分子量: 244.291
• InChiKey: OUSYNRPMPAVSRQ-UHFFFAOYSA-N

物化性质

• 沸点：
  386.4±42.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-(叔丁氧羰基)氮杂环庚烷-2-羧酸 在 dimethyl sulfide borane 、 氯化铵 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 4-benzyl-1(tert-butyl) 5-(aminomethyl)-1,4-diazepane-1,4-dicarboxylate
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA
  [FR] DÉRIVÉS DE BENZIMIDAZOLES UTILISÉS COMME MODULATEURS DE ROR-GAMMA

  摘要：

  公开号：

  WO2017132432A8

文献信息

• Benzimidazole derivatives as modulators of ROR-gamma
  申请人：Vitae Pharmaceuticals, LLC

  公开号：US10829481B2

  公开（公告）日：2020-11-10

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  本发明提供了式 I 的新型化合物：其药学上可接受的盐及其药物组合物，它们可用于治疗由 RORy 介导的疾病和失调。还提供了包含式 I 新型化合物的药物组合物及其用于治疗一种或多种炎症、代谢、自身免疫和其他疾病或紊乱的方法。
• BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, LLC

  公开号：US20190352286A1

  公开（公告）日：2019-11-21

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical com-positions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.
• MODULATORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, LLC

  公开号：US20210094940A1

  公开（公告）日：2021-04-01

  Provided are novel compounds of Formula I pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORγ. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.
• [EN] AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS D'OXAZÉPINE AZA-TÉTRACYCLIQUES ET LEURS UTILISATIONS
  申请人：[en]GENENTECH, INC.

  公开号：WO2023225302A1

  公开（公告）日：2023-11-23

  Provided herein are aza-tetracyclic oxazepinyl compounds useful in the treatment of cancers.
• [EN] BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLES UTILISÉS COMME MODULATEURS DE ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2017132432A8

  公开（公告）日：2017-08-31