4-Prop-2-ynoxybenzenesulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Prop-2-ynoxybenzenesulfonic acid
• 英文别名: 4-prop-2-ynoxybenzenesulfonic acid
• 化学式: C₉H₈O₄S
• 分子量: 212.22
• InChiKey: FPMJCUOMUDKBPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• RAFAMYCIN ANALOGS AND METHODS FOR MAKING SAME
  申请人：HANGZHOU ZYLOX PHARMA CO., LTD

  公开号：US20150051242A1

  公开（公告）日：2015-02-19

  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 mTOR 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.

  一种含有三唑基团或其药用可接受盐或前药的半合成雷帕霉素类似物，是一种广谱细胞静止剂和 mTOR 抑制剂，可用于治疗各种癌症或器官肿瘤，如肾脏、肝脏、乳腺、头颈部、肺部、前列腺，以及冠状动脉、外周动脉和脑动脉的再狭窄，免疫和自身免疫疾病。还公开了抑制真菌生长、再狭窄、移植后组织排斥以及免疫和自身免疫疾病的组合物和在哺乳动物中抑制癌症、真菌生长、再狭窄、移植后组织排斥以及免疫和自身免疫疾病的方法。其中一种特定的首选应用是含有三唑基团的雷帕霉素类似物在治疗肾癌、肺癌、结肠癌和乳腺癌方面，药物的效力、半衰期、组织分布特性以及其药代动力学特性，包括口服和静脉途径的生物利用度对临床结果至关重要。