(9r,10s,12s)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (9r,10s,12s)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid
• 英文别名: (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid
• 化学式: C₂₆H₁₉N₃O₅
• 分子量: 453.4
• InChiKey: AMSOPBXQXSAAAC-RBWOYHBQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (9r,10s,12s)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid 生成 (15R,16S,18S)-16-acetyloxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid
  参考文献：
  名称：

  TAKAHASHI, MITSURU;KOBAYASHI, EIJI;MORIMOTO, MAKOTO;AKINAGA, SHIRO;HIRATA+

  摘要：

  DOI：

文献信息

• Prevention of Cell Proliferation by Inhibiting Myosin Light Chain Kinase
  申请人：de Lanerolle Primal

  公开号：US20080081078A1

  公开（公告）日：2008-04-03

  Methods of using compounds having certain inhibitory effect to treat cancer are disclosed. More specifically, methods of using myosin light chain kinase inhibitor (MLCK) to treat cancer are disclosed. MLCK inhibitors may cause reduction in MLC-P and induce apoptosis in neoplastic cells and prevent and or inhibit the tumor growth.
• MULTIPLE SYSTEM ATROPHY AND THE TREATMENT THEREOF
  申请人：Parkinson's Institute

  公开号：US20180179594A1

  公开（公告）日：2018-06-28

  Provided herein are methods, kits, and devices related to genetic variations of neurological disorders. For example, methods, kits, and devices for using such genetic variations to assess susceptibility of developing Multiple System Atrophy.
• METHOD FOR PREVENTING HAIR LOSS
  申请人：Icahn School of Medicine at Mount Sinai

  公开号：US20220249509A1

  公开（公告）日：2022-08-11

  Methods and compositions useful in the prevention and treatment of hair loss. In some embodiments, compositions are applied to hair follicles to inhibit the transition of growth phases. In some embodiments, the composition is a myosin light chain kinase (MLCK) inhibitor alone, or in conjunction with other components. In some embodiments, methods are disclosed for identifying and/or selecting compositions for use in methods of preventing or treating hair loss.