jervinone | 469-60-3

• 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: jervinone
• 英文别名: (3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,5,6,6a,6b,7,8,11a-octahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-dione
• CAS: 469-60-3
• 化学式: C₂₇H₃₇NO₃
• 分子量: 423.596
• InChiKey: KLTPAUQDYRELPI-WKWNSBFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  蒜黎芦碱 在 铜 作用下， 生成 jervinone
  参考文献：
  名称：

  Jacobs; Huebner, Journal of Biological Chemistry, 1947, vol. 170, p. 635,638

  摘要：

  DOI：

文献信息

• Biotransformation of Jervine by<i>Cunninghamella echinulata</i>
  作者：Ke-Yu Chen、Yi-Feng Lü、Wei-Dong Zhang、Jian Tang、Run-Hui Liu、Hui-Liang Li

  DOI：10.1002/hlca.201200345

  日期：2013.6

  Biotransformation of jervine (1) by Cunninghamella echinulata (ACCC 30369) was carried out. Four biotransformation products were obtained, and three of them, 3–5, were identified as new compounds. On the basis of their NMR and mass‐spectral data, their structures were characterized as jervinone (2), 7α‐hydroxyjervine (3), 14α‐hydroxyjervine (4), and 1β,7α‐dihydroxyjervine (5). The X‐ray diffraction

  刺柏（Cunninghamella echinulata）（ACCC 30369）对水芹（1）进行了生物转化。获得了四个生物转化产物，其中三个（3-5个）被鉴定为新化合物。在他们的NMR和质谱光谱数据的基础上，其结构分别表征为jervinone（2），7 α -hydroxyjervine（3），14 α -hydroxyjervine（4），和1 β，7 α -dihydroxyjervine（5）。X射线衍射结构为1也是首次报道。
• DOSING REGIMENS FOR THE TREATMENT OF CANCER
  申请人：Mcgovern Karen J.

  公开号：US20110034498A1

  公开（公告）日：2011-02-10

  The invention relates to a method of treating cancer. The method includes administering systemically a therapeutically effective amount of a small molecule hedgehog pathway inhibitor, such that the concentration of the inhibitor in the blood does not vary by more than about ±30% from the average concentration, and such that the concentration remains at or below the maximum tolerated dose of the inhibitor for a time period of at least about one day.
• Jacobs; Huebner, Journal of Biological Chemistry, 1947, vol. 170, p. 635,638
  作者：Jacobs、Huebner

  DOI：——

  日期：——

表征谱图