methyl (4aS,6aR,6bS,8aR,9R,10S,12aS,14aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-methylsulfonyloxy-11-(methylsulfonyloxymethyl)-14-oxo-3,4,5,6,7,8,8a,10,14a,14b-decahydro-1H-picene-4a-carboxylate

• 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: methyl (4aS,6aR,6bS,8aR,9R,10S,12aS,14aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-methylsulfonyloxy-11-(methylsulfonyloxymethyl)-14-oxo-3,4,5,6,7,8,8a,10,14a,14b-decahydro-1H-picene-4a-carboxylate
• 化学式: C₃₄H₅₂O₁₀S₂
• 分子量: 684.9
• InChiKey: BVSLBKBYWMOAIQ-CYEINLDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  167
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• TRITERPENOIDS AND COMPOSITIONS CONTAINING THE SAME
  申请人：Trustees of Dartmouth College

  公开号：US20150011627A1

  公开（公告）日：2015-01-08

  The present invention provides triterpenoids produced from natural compounds such as oleanolic acid, ursolic acid, betulinic acid, and hederagenin.
• SYNTHETIC TRITERPENOIDS AND METHODS FOR MODULATING STEM/PROGENITOR CELL GENE EXPRESSION
  申请人：Trustees of Dartmouth College

  公开号：US20150104429A1

  公开（公告）日：2015-04-16

  Synthetic triterpenoids and methods of using the same to induce gene expression and differentiation of stem or progenitor cells are provided. Furthermore, the present invention provides methods for producing a cell, such as a stem or progenitor cell, with induced gene expression by contacting a stem or progenitor cell with an effective amount of a synthetic triterpenoid to induce the expression of one or more of SOX9 (Sex determining region Y-box 9), COL2A1 (Type II Collagen (alpha1)), TGF-βI, TGF-p2, TGF-33, BMP2, BMP4, BMPRII (Bone Morphogenic Protein Receptor II), SMAD (Small Mothers Against Decapentaplegic) 3, SMAD4, SMAD6, SMAD7, TIMP (Tissue Inhibitor of Metalloproteinase)-1 or TIMP-2 in the stem or progenitor cell, wherein the stem or progenitor cell is not a mesenchymal stem cell, periosteium cell or osteoprogenitor cell. In one embodiment, the stem or progenitor cell is multipotent.
• US9205113B2
  申请人：——

  公开号：US9205113B2

  公开（公告）日：2015-12-08
• US9539287B2
  申请人：——

  公开号：US9539287B2

  公开（公告）日：2017-01-10
• [EN] SYNTHETIC TRITERPENOIDS AND METHODS FOR MODULATING STEM/PROGENITOR CELL GENE EXPRESSION<br/>[FR] TRITERPÉNOÏDES SYNTHÉTIQUES ET PROCÉDÉS POUR MODULER L'EXPRESSION DE GÈNES DE CELLULES SOUCHES/PROGÉNITRICES
  申请人：DARTMOUTH COLLEGE

  公开号：WO2013169740A2

  公开（公告）日：2013-11-14

  Synthetic triterpenoids and methods of using the same to induce gene expression and differentiation of stem or progenitor cells are provided.