叔-丁基N-[(3-氨基环戊基)甲基]氨基甲酯 | 1392804-45-3

• 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: 叔-丁基N-[(3-氨基环戊基)甲基]氨基甲酯
• 英文名称: cis-N-[(3-Aminocyclopentyl)methyl](t-butoxy)carboxamide
• 英文别名: (3-Amino-cyclopentylmethyl)-carbamic acid tert-butyl ester；tert-butyl N-[(3-aminocyclopentyl)methyl]carbamate
• CAS: 1392804-45-3
• 化学式: C₁₁H₂₂N₂O₂
• 分子量: 214.308
• InChiKey: PIFXVPWOUHXSLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Compound for inhibiting IDO, a manufacturing method and a use thereof
  申请人：Shanghai JOYU Pharmatech Ltd.

  公开号：US10981882B1

  公开（公告）日：2021-04-20

  A compound for inhibiting IDO represented by the following general formula I, wherein a bond represented by a wavy line “” indicates the structure which represents independently a cis-isomer, a trans-isomer, or a mixture of cis- and trans-isomers; R1 and R2 are each independently selected from the group consisting of H, halogen, alkyl, alkoxyl, and haloalkyl; R3 is selected from the group consisting of cyclopentyl, cyclohexyl, piperazinyl, and piperidyl; and the substitution positions of R3 are optionally substituted at 1,2 position, 1,3 position or 1,4 position; m and n are an integer number independently selected from 0 to 5. The compound has a strong inhibiting effect on IDO and can be used to manufacture an IDO inhibitor for the prevention and/or treatment of an IDO-mediated disease with the pathologic features of the tryptophan metabolic pathway.

  由以下通式 I 代表的一种抑制 IDO 的化合物、 其中，波浪线""表示的键独立地代表顺式异构体、反式异构体或顺式异构体和反式异构体混合物的结构；R1 和 R2 各自独立地选自由 H、卤素、烷基、烷氧基和卤代烷基组成的组；R3选自由环戊基、环己基、哌嗪基和哌啶基组成的组；R3的取代位可选择在1,2位、1,3位或1,4位被取代；m和n是独立选自0至5的整数。该化合物对 IDO 有很强的抑制作用，可用于制造 IDO 抑制剂，以预防和/或治疗 IDO 介导的具有色氨酸代谢途径病理特征的疾病。
• COMPOUND FOR INHIBITING IDO, A MANUFACTURING METHOD AND A USE THEREOF
  申请人：Shanghai JOYU Pharmatech Ltd.

  公开号：US20210107882A1

  公开（公告）日：2021-04-15

  The present disclosure provides a compound for inhibiting IDO, a manufacturing method and a use thereof. The compound is represented by the following general formula I, wherein a bond represented by a wavy line “ ” indicates the structure which represents independently a cis-isomer, a trans-isomer, or a mixture of cis- and trans-isomers; R 1 and R 2 are each independently selected from the group consisting of H, halogen, alkyl, alkoxyl, and haloalkyl; R 3 is selected from the group consisting of cyclopentyl, cyclohexyl, piperazinyl, and piperidyl; and the substitution positions of are optionally substituted at 1,2 position, 1,3 position or 1,4 position; m and n are an integer number independently selected from 0 to 5. The compound of the present invention has a strong inhibiting effect on IDO and can be used to manufacture an IDO inhibitor for the prevention and/or treatment of an IDO-mediated disease with the pathologic features of the tryptophan metabolic pathway. The compound has very, good application potential.