menellsteroid C | 1334780-76-5

• 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: menellsteroid C
• 英文别名: cholestan-3β,5α,6β,11α-tetrol；(3β,5α,6β,11α)-cholestane-3,5,6,11-tetrol；anthogorgsteroid A；(3S,5R,6R,8S,9S,10R,11R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,11-tetrol
• CAS: 1334780-76-5
• 化学式: C₂₇H₄₈O₄
• 分子量: 436.676
• InChiKey: SGIUWJFIDDJBAS-TXKSHASPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  menellsteroid C 、 (R)-methoxytrifluoromethylphenylacetyl chloride 在 吡啶 、 水 作用下， 反应 24.0h， 以1.9 mg的产率得到
  参考文献：
  名称：

  New polyhydroxylated steroid from the South China Sea gorgonianAnthogorgia caerulea

  摘要：

  One new polyhydroxylated steroid, caerulsteroid A (1), along with nine known analogues (2-10), was isolated from the gorgonian coral Anthogorgia caerulea collected from the South China Sea. The structure of the new compound was elucidated by 1-D and 2-D NMR, and mass spectrometry. The absolute configuration of 1 was assigned on the basis of the absolute configurations of the related congeners 2 and 3, which were determined by application of the modified Mosher's method. The isolated compounds were assayed for their cytotoxicity, antimicrobial activity and lethality towards brine shrimp Artemia salina.

  DOI：

  10.1080/14786419.2012.717287

文献信息

• METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER
  申请人：Haggerty Timothy J.

  公开号：US20140335050A1

  公开（公告）日：2014-11-13

  The invention features methods, compositions, and kits for the administration of an HSP90 inhibitor, OBAA, flunarizine, aphidicolin, damnacanthal, dantrolene, or an analog thereof, alone, or in combination with, e.g., a TAA, an antigen-binding scaffold (e.g., an antibody, a soluble T cell receptor, or a chimeric receptor) specific for a TAA, a cell (e.g., a white blood cell that targets a cancer cell), and/or an IFN-β receptor agonist or an IFN-γ receptor agonist, for the treatment of cancer.