3-(10,11-二氢-5H-二苯并[a,d]环庚烯-5-亚基)-N,N-二甲基-1-丙胺N-氧化物盐酸盐

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 中文名称: 3-(10,11-二氢-5H-二苯并[a,d]环庚烯-5-亚基)-N,N-二甲基-1-丙胺N-氧化物盐酸盐
• 中文别名: 盐酸阿米替林氮氧化物盐酸盐
• 英文名称: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide;hydron;chloride
• 化学式: C20H24ClNO
• 分子量: 329.9
• InChiKey: ZELYQHCTXSGSGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  18.1
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• Pharmaceutical Compositions Comprising RET Inhibitors and Methods for the Treatment of Cancer
  申请人：Gujral Taranjit S.

  公开号：US20110201598A1

  公开（公告）日：2011-08-18

  A class of compounds useful in pharmaceutical compositions and methods for treating or preventing cancer is described. The compounds' ability to inhibit RET kinase is quantified, i.e., their respective RET IC50 and EC50 values are described. One such compound, known as cyclobenzaprine and herein as SW-01, has been identified as RET-specific with an IC50 of 300 nM. SW-01 inhibits RET autophosphorylation and blocks the growth and transformation of thyroid cancer cell lines. It has been further tested in pancreatic cancer, breast cancer, and SCLC cell lines. The compounds show utility for inhibition of survival and proliferation of tumour cells.
• US8629135B2
  申请人：——

  公开号：US8629135B2

  公开（公告）日：2014-01-14