[(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate;(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: [(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate;(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C69H99BrN4O18
• 分子量: 1352.4
• InChiKey: WRWOPEUKAVMPKW-ZWWMUIOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  92
• 可旋转键数：
  13
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  297
• 氢给体数：
  9
• 氢受体数：
  21

文献信息

• Molecular signatures of ovarian cancer
  申请人：Cedars-Sinai Medical Center

  公开号：US10253368B2

  公开（公告）日：2019-04-09

  Described herein are gene signatures providing prognostic, diagnostic, treatment and molecular subtype classifications of ovarian cancers through generation of ovarian cancer disease signatures (OCDSs) that account for molecular heterogeneity present in gynecological cancers. An ovarian cancer fixed signature (OCFS) is described which relates to the core programming of disease development, in addition to an ovarian cancer stem cell (OCSC) signature. Development various disease signature, suggests personalized treatment strategies focused on molecular subtypes of gynecological cancers, such as triage tests for patients.

  本文描述的基因特征通过生成考虑到妇科癌症分子异质性的卵巢癌疾病特征（OCDS），提供卵巢癌的预后、诊断、治疗和分子亚型分类。除卵巢癌干细胞（OCSC）特征外，还描述了卵巢癌固定特征（OCFS），它与疾病发展的核心程序有关。各种疾病特征的发展表明，个性化治疗策略侧重于妇科癌症的分子亚型，例如对患者进行分流测试。
• MOLECULAR SIGNATURES OF OVARIAN CANCER
  申请人：Cedars-Sinai Medical Center

  公开号：EP2908913B1

  公开（公告）日：2018-10-03
• EP2908913A1
  申请人：——

  公开号：EP2908913A1

  公开（公告）日：2015-08-26
• [EN] MOLECULAR SIGNATURES OF OVARIAN CANCER<br/>[FR] SIGNATURES MOLÉCULAIRES DU CANCER DE L'OVAIRE
  申请人：CEDARS SINAI MEDICAL CENTER

  公开号：WO2014062978A1

  公开（公告）日：2014-04-24

  Described herein are gene signatures providing prognostic, diagnostic, treatment and molecular subtype classifications of ovarian cancers through generation of ovarian cancer disease signatures (OCDSs) that account for molecular heterogeneity present in gynecological cancers. An ovarian cancer fixed signature (OCFS) is described which relates to the core programming of disease development, in addition to an ovarian cancer stem cell (OCSC) signature. Development various disease signature, suggests personalized treatment strategies focused on molecular subtypes of gynecological cancers.