(1'S,2R,2'S,3R,3aS,6S,7aR,10'R,13'R,14'S)-2',3,6,18'-tetramethylspiro[3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine-2,17'-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-4(8),5,18-triene] | 1055988-84-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1'S,2R,2'S,3R,3aS,6S,7aR,10'R,13'R,14'S)-2',3,6,18'-tetramethylspiro[3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine-2,17'-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-4(8),5,18-triene]
• CAS: 1055988-84-5
• 化学式: C₂₈H₄₁N₃O
• 分子量: 435.653
• InChiKey: OVCVKRLSBZSIMG-YMZGWXNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9R,11aS,11bS)-3',6',10,11b-tetramethylspiro[1,2,4,4a,5,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one 在 potassium tert-butylate 、 肼 作用下， 以 乙醇 、 叔丁醇 为溶剂， 反应 49.25h， 生成 (1'S,2R,2'S,3R,3aS,6S,7aR,10'R,13'R,14'S)-2',3,6,18'-tetramethylspiro[3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine-2,17'-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-4(8),5,18-triene]
  参考文献：
  名称：

  WO2008/109184

  摘要：

  公开号：

文献信息

• HETEROCYCLIC CYCLOPAMINE ANALOGS AND METHODS OF USE THEREOF
  申请人：Castro Alfredo C.

  公开号：US20080293755A1

  公开（公告）日：2008-11-27

  The present invention relates to steroidal alkaloids that can be used in the treatment of hedgehog pathway related disorders, particularly cancer.

  本发明涉及可用于治疗刺猬通路相关疾病，特别是癌症的类固醇生物碱。
• Heterocyclic Cyclopamine Analogs and Methods of Use Thereof
  申请人：Castro Alfredo C.

  公开号：US20120065218A1

  公开（公告）日：2012-03-15

  The present invention relates to steroidal alkaloids that can be used in the treatment of hedgehog pathway related disorders, particularly cancer.

  本发明涉及类固醇生物碱，可用于治疗刺猬通路相关疾病，特别是癌症。
• THERAPEUTIC REGIMENS FOR HEDGEHOG-ASSOCIATED CANCERS
  申请人：MacDougall John R.

  公开号：US20120010229A1

  公开（公告）日：2012-01-12

  Provided herein are methods, therapeutic regimens, and kits that optimize the benefits of hedgehog inhibition for cancer therapy.
• HEDGEHOG PATHWAY INHIBITORS
  申请人：Olive Kenneth Paul

  公开号：US20120020876A1

  公开（公告）日：2012-01-26

  This disclosure generally relates to methods useful for improving, for example, blood vessel density and/or blood vessel patency to a tissue by administration of a hedgehog pathway inhibitor. In certain embodiments, the hedgehog pathway inhibitor is administered with an agent to improve the delivery of the agent to the tissue. In certain embodiments, the tissue comprises tumor tissue.
• METHODS AND COMPOSITIONS FOR IDENTIFICATION, ASSESSMENT AND TREATMENT OF CANCERS ASSOCIATED WITH HEDGEHOG SIGNALING
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US20150025012A1

  公开（公告）日：2015-01-22

  Provided herein are methods, assays and kits for evaluating a sample, e.g., a sample obtained from a cancer patient, to detect one or more hedgehog biomarkers and/or one or more cilium markers. Thus, the invention can be used, inter alia, as a means to identify patients likely to benefit from administration of one or more hedgehog inhibitors, alone or in combination with therapeutic agents; to predict a time course of disease or a probability of a significant event in the disease of a cancer patient; to stratify patient populations; and/or to more effectively treat or prevent a cancer or a tumor associated with hedgehog signaling.