5-<2-Dimethylamino-aethoxy>-dibenzo1,3,5-cycloheptatrien | 2521-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 5-<2-Dimethylamino-aethoxy>-dibenzo1,3,5-cycloheptatrien
• 英文别名: N-[2-(5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-N,N-dimethylamine；N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyloxy)ethanamine
• CAS: 2521-76-8
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: DUONCNQHPXEHDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 5H-二苯并[Α,D]环庚三烯-5-醇 生成 5-<2-Dimethylamino-aethoxy>-dibenzo1,3,5-cycloheptatrien
  参考文献：
  名称：

  烷基取代在药物中的作用。V.一些二苯并[a，d] 1，4-环庚二烯基醚的合成和化学性质。

  摘要：

  DOI：

  10.1021/jm50018a008

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
• [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING RET INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSITIONS PHARMACEUTIQUES CONTENANT DES INHIBITEURS DE RET ET PROCÉDÉS DE TRAITEMENT DU CANCER
  申请人：UNIV KINGSTON

  公开号：WO2010006432A1

  公开（公告）日：2010-01-21

  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.
• The Effect of Alkyl-Substitution in Drugs--V. Synthesis and Chemical Properties of Some Dibenzo [a,d]1,4-cycloheptadienyl Ethers
  作者：C. van Der Stelt、A. F. Harms、W. Th. Nauta

  DOI：10.1021/jm50018a008

  日期：1961.9