(1R,2S,3S,10S,12S,14R,15R,16E,18R,19R,21R,24E,26E,28E,32S,35R)-12-[(2R)-1-[(1S,3R,4S)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-3-methoxycyclohexyl]propan-2-yl]-1,2,3,10,14,18-hexahydroxy-19-methoxy-15,17,21,29,35-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-20-one

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1R,2S,3S,10S,12S,14R,15R,16E,18R,19R,21R,24E,26E,28E,32S,35R)-12-[(2R)-1-[(1S,3R,4S)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-3-methoxycyclohexyl]propan-2-yl]-1,2,3,10,14,18-hexahydroxy-19-methoxy-15,17,21,29,35-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-20-one
• 化学式: C₅₄H₉₁N₅O₁₁
• 分子量: 986.3
• InChiKey: ZDQZFLKWGDNOLL-RODRIAOSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  70
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  213
• 氢给体数：
  6
• 氢受体数：
  15

文献信息

• [EN] RAFAMYCIN ANALOGS AND METHODS FOR MAKING SAME<br/>[FR] ANALOGUE DE LA RAPAMYCINE ET PROCÉDÉS DE FABRICATION ASSOCIÉS
  申请人：HANGZHOU ZYLOX PHARMA CO LTD

  公开号：WO2014082286A1

  公开（公告）日：2014-06-05

  A semi-synthetic rapamycin analog with a triazole moiety or a pharmaceutically acceptable salt or prodrug thereof, is a broad-spectrum cytostatic agent and a m TOR inhibitor, and is useful in the treatment of various cancers, or tumors in organs such as kidney, liver, breast, head and neck, lung, prostate, and restenosis in coronary arteries, peripheral arteries, and arteries in the brain, immune and autoimmune diseases. Also disclosed are fungal growth-, restenosis-, post- transplant tissue rejection- and immune- and autoimmune disease- inhibiting compositions and a method of inhibiting cancer, fungal growth, restenosois, post-transplant tissue rejection, and immune and autoimmune disease in a mammal. One particular preferred application of such triazole-moiety containing rapamycin analog is in treating renal carcinoma, lung cancer, colon cancer, and breast cancers wherein potency of the drug, its half-life, tissue distribution properties, and its pharmacokinetic properties including bioavailability through oral and intravenous routes are essential to the clinical outcomes.