2-[6-[(11S,13S,17S)-17-hydroxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]hexylamino]ethyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate | 865070-37-7

• 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: 2-[6-[(11S,13S,17S)-17-hydroxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]hexylamino]ethyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate
• CAS: 865070-37-7
• 化学式: C₄₀H₅₉Cl₂N₃O₄
• 分子量: 716.8
• InChiKey: NUVYGWMULLVQOM-YLUJQFMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  49
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  90.9
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE AND POLYCYSTIC LIVER DISEASE
  申请人：Massachusetts Institute of Technology

  公开号：US20150105361A1

  公开（公告）日：2015-04-16

  The present invention provides compounds of Formula (I) or (II), which are thought to be able to inhibit mTOR (mammalian target of rapamycin) signaling pathway, induce UPR (unfolded protein response), and/or perturb mitochondrial function of a cyst cell (e.g., a cyst cell causing polycystic kidney disease (PKD, e.g., autosomal dominant PKD (ADPKD) or autosomal recessive PKD (ARPKD)) or polycystic liver disease (PLD, e.g., autosomal dominant PLD (ADPLD) or autosomal recessive PLD (ARPLD)). The invention also provides pharmaceutical compositions, kits, and methods involving the compounds described herein for use in treating PKD or PLD, inhibiting the growth of a cyst cell, and/or killing a cyst cell.
• US9982009B2
  申请人：——

  公开号：US9982009B2

  公开（公告）日：2018-05-29
• [EN] METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE AND POLYCYSTIC LIVER DISEASE<br/>[FR] MÉTHODES DE TRAITEMENT D'UNE MALADIE POLYKYSTIQUE RÉNALE ET D'UNE MALADIE POLYKYSTIQUE DU FOIE
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2015057894A1

  公开（公告）日：2015-04-23

  The present invention provides compounds of Formula (I) or (II), which are thought to be able to inhibit mTOR (mammalian target of rapamycin) signaling pathway, induce UPR (unfolded protein response), and/or perturb mitochondrial function of a cyst cell (e.g., a cyst cell causing polycystic kidney disease (PKD, e.g., autosomal dominant PKD (ADPKD) or autosomal recessive PKD (ARPKD)) or polycystic liver disease (PLD, e.g., autosomal dominant PLD (ADPLD) or autosomal recessive PLD (ARPLD)). The invention also provides pharmaceutical compositions, kits, and methods involving the compounds described herein for use in treating PKD or PLD, inhibiting the growth of a cyst cell, and/or killing a cyst cell.