(1R,2R,5S,10S,11R,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-5-(2H-tetrazol-5-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one | 1191264-84-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1R,2R,5S,10S,11R,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-5-(2H-tetrazol-5-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one
• CAS: 1191264-84-2
• 化学式: C₃₁H₄₅N₅O₂
• 分子量: 519.731
• InChiKey: DFWMHLMLGUTIRT-FLLWAAIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  38
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  97.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1R,2R,5S,10S,11R,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-5-(2H-tetrazol-5-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one 、 trimethylsilyldiazomethane 以 四氢呋喃 、 甲醇 为溶剂， 以77%的产率得到(1R,2R,5S,10S,11R,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-5-(2-methyltetrazol-5-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one
  参考文献：
  名称：

  [EN] ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  [FR] MODULATEURS D'INFLAMMATION ANTIOXYDANTS: DÉRIVÉS D'ACIDE OLÉANOLIQUE PRÉSENTANT UNE SATURATION DANS L'ANNEAU C

  摘要：

  公开号：

  WO2009129545A8
• 作为产物：
  描述：

  (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-(2H-tetrazol-5-yl)-1,2,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,13-dione 在 盐酸羟胺 、 sodium methylate 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 3.0h， 生成 (1R,2R,5S,10S,11R,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-5-(2H-tetrazol-5-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one
  参考文献：
  名称：

  [EN] ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  [FR] MODULATEURS D'INFLAMMATION ANTIOXYDANTS: DÉRIVÉS D'ACIDE OLÉANOLIQUE PRÉSENTANT UNE SATURATION DANS L'ANNEAU C

  摘要：

  公开号：

  WO2009129545A8

文献信息

• ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  申请人：Anderson Eric

  公开号：US20100056777A1

  公开（公告）日：2010-03-04

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.
• ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  申请人：Anderson Eric

  公开号：US20110245233A1

  公开（公告）日：2011-10-06

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.
• Antioxidant Inflammation Modulators: Oleanolic Acid Derivatives with Saturation in the C-Ring
  申请人：Anderson Eric

  公开号：US20120245374A1

  公开（公告）日：2012-09-27

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.
• US7915402B2
  申请人：——

  公开号：US7915402B2

  公开（公告）日：2011-03-29
• US8124656B2
  申请人：——

  公开号：US8124656B2

  公开（公告）日：2012-02-28