(3S)-1-benzylpyrrolidine-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3S)-1-benzylpyrrolidine-3-carboxamide
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.27
• InChiKey: HNAGHMKIPMKKBB-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Indole-type inhibitors of p38 kinase
  申请人：——

  公开号：US20030100588A1

  公开（公告）日：2003-05-29

  The invention is directed to inhibition of p38-a kinase using compounds of the formula 1 and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein Ar is an aryl group substituted with 0-5 non-interfering substituents, wherein two adjacent noninterfering substituents can form a fused aromatic or nonaromatic ring; L 1 and L 2 are linkers; X is an aliphatic monocyclic or aliphatic polycyclic moiety optionally comprising one or more hetero ring atoms wherein the cyclic moiety may be optionally substituted with one or more noninterfering substituents and where said optional substituents may constitute a ring fused to X; n is 0-3; each R 1 is hydrogen or a noninterfering substituent; 2 represents a single or double bond; one Z 2 is CA or CR 2 A; the other Z 2 is CR 3 , CR 3 2 , NR 4 or N; and each R 2 , R 3 and R 4 is independently hydrogen or a noninterfering substituent; Z 3 is NR 5 or O; where R 5 is hydrogen or a noninterfering substituent; A is —W i —COX j Y, where Y is COR 6 or an isostere thereof, each of W and X is a spacer of 2-6 Å; each of i and j is independently 0 or 1; and R 6 is a noninterfering substituent; and wherein the smallest number of covalent bonds in the compound separating the atom of Ar linked to L 2 and the atom of the &agr; ring linked to L 1 is at least 5, each said bond having a bond length of 1.2 to 2.0 angstroms; and/or the distance in space between the atom of Ar linked to L 2 and the atom of the &agr; ring linked to L 1 is 4.5-24 angstroms; and with the proviso that the portion of the compound represented by L 2 —X—L 1 is not: 3 where L 2 and L 1 are linkers; Z 1 is CR or N wherein R is hydrogen or a non-interfering substituent; each R 1 is independently a non-interfering substituent; and each of l and k is 0-3; and m is 0-4.

  该发明涉及使用式1中的化合物及其药学上可接受的盐来抑制p38-a激酶，或者其药物组合物，其中Ar是带有0-5个非干扰取代基的芳基，其中两个相邻的非干扰取代基可以形成融合的芳香环或非芳香环；L1和L2是连接物；X是一种脂肪单环或脂肪多环基团，可选地包含一个或多个杂环原子，其中环基团可以选择地被一个或多个非干扰取代基取代，这些可选取代基可以构成与X融合的环；n为0-3；每个R1是氢或一个非干扰取代基；2表示单键或双键；一个Z2是CA或CR2A；另一个Z2是CR3、CR32、NR4或N；每个R2、R3和R4独立地是氢或一个非干扰取代基；Z3是NR5或O；其中R5是氢或非干扰取代基；A是—Wi—COXjY，其中Y是COR6或其同分异构体，W和X各自是2-6埃的间隔；i和j各自独立地为0或1；R6是一个非干扰取代基；并且化合物中连接到L2的Ar原子与连接到L1的α环原子之间的共价键的最小数量至少为5，每个所述键的键长为1.2到2.0埃；和/或连接到L2的Ar原子与连接到L1的α环原子之间的空间距离为4.5-24埃；但化合物中由L2—X—L1表示的部分不是：3，其中L2和L1是连接物；Z1是CR或N，其中R是氢或非干扰取代基；每个R1独立地是一个非干扰取代基；l和k分别为0-3；m为0-4。
• [EN] ANTI-PARASITIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ANTIPARASITAIRES ET LEURS UTILISATIONS
  申请人：MEMORIAL SLOAN KETTERING CANCER CENTER

  公开号：WO2017124087A1

  公开（公告）日：2017-07-20

  The present disclosure provides compounds of Formula (I'), Formula (II), and Formula (III). The compounds described herein may useful in treating and/or preventing protozoan infections in a subject in need thereof, treating and/or preventing trypanosomal infections (e.g., Trypanosoma cruzi (T. cruzi) or Trypanosoma brucei infections) and/or plasmodial infections in a subject in need thereof, treating and/or preventing diseases in a subject in need thereof (e.g., Chagas disease, malaria, and/or sleeping sickness), and may be useful in treating and/or preventing infectious diseases in a subject in need thereof. Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including a compound described herein.

  本公开提供了式(I')、式(II)和式(III)的化合物。本文描述的化合物可能有助于治疗和/或预防需要治疗的宿主中的原虫感染，治疗和/或预防锥虫感染（例如克氏锥虫（T. cruzi）或布鲁氏锥虫感染）和/或需要治疗的宿主中的疟原虫感染，治疗和/或预防需要治疗的宿主中的疾病（例如恙虫病、疟疾和/或睡眠病），并且可能有助于治疗和/或预防需要治疗的宿主中的传染病。本公开还提供了包括本文描述的化合物的药物组合物、试剂盒、方法和用途。
• Anti-parasitic compounds and uses thereof
  申请人：Memorial Sloan-Kettering Cancer Center

  公开号：US11180492B2

  公开（公告）日：2021-11-23

  The present disclosure provides compounds of Formula (I′), Formula (II), and Formula (III). The compounds described herein may useful in treating and/or preventing protozoan infections in a subject in need thereof, treating and/or preventing trypanosomal infections (e.g., Trypanosoma cruzi (T. cruzi) or Trypanosoma brucei infections) and/or plasmodial infections in a subject in need thereof, treating and/or preventing diseases in a subject in need thereof (e.g., Chagas disease, malaria, and/or sleeping sickness), and may be useful in treating and/or preventing infectious diseases in a subject in need thereof. Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including a compound described herein.

  本公开提供了式(I′)、式(II)和式(III)化合物。本文所述化合物可用于治疗和/或预防有需要的受试者的原生动物感染，治疗和/或预防有需要的受试者的锥虫感染（如克鲁斯锥虫（T.cruzi）或布鲁西锥虫感染）和/或浆细胞感染，治疗和/或预防有需要的受试者的疾病（如恰加斯病、疟疾和/或昏睡病），并可用于治疗和/或预防有需要的受试者的传染性疾病。本公开还提供了包括本文所述化合物的药物组合物、试剂盒、方法和用途。
• ANTI-PARASITIC COMPOUNDS AND USES THEREOF
  申请人：Memorial Sloan-Kettering Cancer Center

  公开号：US20190002463A1

  公开（公告）日：2019-01-03

  The present disclosure provides compounds of Formula (I′), Formula (II), and Formula (III). The compounds described herein may useful in treating and/or preventing protozoan infections in a subject in need thereof, treating and/or preventing trypanosomal infections (e.g., Trypanosoma cruzi ( T. cruzi ) or Trypanosoma brucei infections) and/or plasmodial infections in a subject in need thereof, treating and/or preventing diseases in a subject in need thereof (e.g., Chagas disease, malaria, and/or sleeping sickness), and may be useful in treating and/or preventing infectious diseases in a subject in need thereof. Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including a compound described herein.
• US6890938B2
  申请人：——

  公开号：US6890938B2

  公开（公告）日：2005-05-10