DL-N(Me2)Val-DL-Val-DL-xiThr(1)-DL-N(Me)xiThr-DL-Val-DL-N(Me)Leu-DL-Val-DL-N(Me)Val-DL-N(Me)Trp(4-OMe)-DL-Val-DL-Phe(b-OH)-DL-Val-(1)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: DL-N(Me2)Val-DL-Val-DL-xiThr(1)-DL-N(Me)xiThr-DL-Val-DL-N(Me)Leu-DL-Val-DL-N(Me)Val-DL-N(Me)Trp(4-OMe)-DL-Val-DL-Phe(b-OH)-DL-Val-(1)
• 英文别名: 2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N-[27-(1-hydroxyethyl)-6-[hydroxy(phenyl)methyl]-12-[(4-methoxy-1H-indol-3-yl)methyl]-13,16,22,28,31-pentamethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,15,18,24-penta(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]-3-methylbutanamide
• 化学式: C₇₆H₁₂₁N₁₃O₁₆
• 分子量: 1472.9
• InChiKey: ZPVRUILMJQYFOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  105
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  380
• 氢给体数：
  10
• 氢受体数：
  17

文献信息

• Pharmaceutical composition for preventing or treating mycobacterium species infection and method using the same
  申请人：Seoul National University R&DB Foundation

  公开号：US10702575B2

  公开（公告）日：2020-07-07

  Provided are a pharmaceutical composition for preventing or treating Mycobacterium sp. infection or a related symptom thereof, wherein the pharmaceutical composition includes a compound including a peptide represented by Formula 1, or an isomer, a derivative, a solvate, or a pharmaceutically acceptable salt thereof; and a method using the same. The pharmaceutical composition has anti-Mycobacterium tuberculosis activity against Mycobacteria, e.g., Mycobacterium tuberculosis, and palliates inflammatory response caused by Mycobacterium tuberculosis. Thus, the pharmaceutical composition may be used in preventing or treating Mycobacterium sp. infection or a related symptom thereof.

  本发明提供了一种用于预防或治疗分枝杆菌感染或其相关症状的药物组合物，其中药物组合物包括一种化合物，包括由式1代表的肽，或其异构体、衍生物、溶液剂或药学上可接受的盐；以及使用该药物组合物的方法。该药物组合物对分枝杆菌（如结核分枝杆菌）具有抗结核分枝杆菌活性，并能缓解结核分枝杆菌引起的炎症反应。因此，该药物组合物可用于预防或治疗分枝杆菌感染或其相关症状。
• PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MYCOBACTERIUM SPECIES INFECTION AND METHOD USING THE SAME
  申请人：Seoul National University R&DB Foundation

  公开号：US20180221437A1

  公开（公告）日：2018-08-09

  Provided are a pharmaceutical composition for preventing or treating Mycobacterium sp. infection or a related symptom thereof, wherein the pharmaceutical composition includes a compound including a peptide represented by Formula 1, or an isomer, a derivative, a solvate, or a pharmaceutically acceptable salt thereof; and a method using the same. The pharmaceutical composition has anti- Mycobacterium tuberculosis activity against Mycobacteria, e.g., Mycobacterium tuberculosis , and palliates inflammatory response caused by Mycobacterium tuberculosis . Thus, the pharmaceutical composition may be used in preventing or treating Mycobacterium sp. infection or a related symptom thereof.