9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one | 126643-38-7

• 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: 9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
• 英文别名: methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-23-propoxy-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(25),21,23,26-nonaene-16-carboxylate
• CAS: 126643-38-7
• 化学式: C₃₀H₂₇N₃O₆
• 分子量: 525.6
• InChiKey: ZZWAFVPZTZSAEM-RIGQTMPJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl (15S,16R,18R)-16,23-dihydroxy-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(25),21,23,26-nonaene-16-carboxylate 以57%的产率得到
  参考文献：
  名称：

  MURAKATA, CHIKARA;SATO, AKIRA;TAKAHASHI, MITSURU;KOBAYASHI, EIJI;MORIMOTO+

  摘要：

  DOI：

文献信息

• MURAKATA, CHIKARA;SATO, AKIRA;TAKAHASHI, MITSURU;KOBAYASHI, EIJI;MORIMOTO+
  作者：MURAKATA, CHIKARA、SATO, AKIRA、TAKAHASHI, MITSURU、KOBAYASHI, EIJI、MORIMOTO+

  DOI：——

  日期：——
• 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.
• COMPOSITIONS AND METHODS FOR CONTROLLING NATURAL KILLER CELL ACTIVATION AND FUNCTION
  申请人：BAR ILAN UNIVERSITY

  公开号：US20190343801A1

  公开（公告）日：2019-11-14

  The present invention provides means to affect the dynamics of actomyosin network in natural killer (NK) cells, and thereby to confer selective control on killing efficiencies of NK cell populations. Compositions and methods of the present invention, particularly those using small molecules, provide a powerful tool for controlling NK cell activation and function in various conditions, in health and disease, most notably in viral infections, autoimmunity, immunodeficiency, GVHD and cancer.
• 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.