N-[(3R,3'R,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-[(3R,3'R,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide
• 化学式: C₂₉H₄₈N₂O₃S
• 分子量: 504.8
• InChiKey: HZLFFNCLTRVYJG-BNZLAQAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  75.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Topical formulations for delivery of hedgehog inhibitor compounds and use thereof
  申请人：PellePharm, Inc.

  公开号：US10695344B2

  公开（公告）日：2020-06-30

  Compositions for topical administration of a hedgehog inhibitor compound are described. In one embodiment, the hedgehog inhibitor compound is patidegib and the topical composition comprises the compound in a solvent system of a monohydric primary alcohol and a polyol in a w/w ratio of between about 0.9-1.8. In another embodiment, the hedgehog inhibitor is itraconazole and the topical composition comprises the compound in a solvent system comprising a monohydric primary alcohol and an optionally lower alkyl end-capped oligomeric alkylene glycol in a w/w ratio of between about 0.8 and 2.6 and a fused bicyclic ether. Method of using the compositions are also described, where in one embodiment, the compositions are topically applied for treating or preventing basal cell carcinoma.

  本文描述了用于局部施用刺猬抑制剂化合物的组合物。在一个实施方案中，刺猬抑制剂化合物是帕替吉布，外用组合物包括在一元醇和多元醇的溶剂体系中的化合物，两者的重量比约为 0.9-1.8 之间。在另一个实施方案中，刺猬抑制剂是伊曲康唑，外用组合物包括该化合物在溶剂体系中，该溶剂体系包括一元醇和任选低级烷基末端封端的低聚亚烷基二醇，其重量/重量比在约 0.8 至 2.6 之间，以及熔融双环醚。还描述了组合物的使用方法，在一个实施方案中，组合物局部应用于治疗或预防基底细胞癌。
• EP2096917B1
  申请人：——

  公开号：EP2096917B1

  公开（公告）日：2014-05-07
• METHODS OF USE OF CYCLOPAMINE ANALOGS
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US20170360763A1

  公开（公告）日：2017-12-21

  The invention provides methods for treating various conditions using derivatives of cyclopamine having the following formula:
• TOPICAL FORMULATIONS FOR DELIVERY OF HEDGEHOG INHIBITOR COMPOUNDS AND USE THEREOF
  申请人：PellePharm, Inc.

  公开号：US20190134027A1

  公开（公告）日：2019-05-09

  Compositions for topical administration of a hedgehog inhibitor compound are described. In one embodiment, the hedgehog inhibitor compound is patidegib and the topical composition comprises the compound in a solvent system of a monohydric primary alcohol and a polyol in a w/w ratio of between about 0.9-1.8. In another embodiment, the hedgehog inhibitor is itraconazole and the topical composition comprises the compound in a solvent system comprising a monohydric primary alcohol and an optionally lower alkyl end-capped oligomeric alkylene glycol in a w/w ratio of between about 0.8 and 2.6 and a fused bicyclic ether. Method of using the compositions are also described, where in one embodiment, the compositions are topically applied for treating or preventing basal cell carcinoma.