1-Chlor-1-<3-methoxy-phenyl>-butan | 1742-00-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-Chlor-1-<3-methoxy-phenyl>-butan
• 英文别名: 1-chlor-1-(3'-methoxyphenyl)-butane；1-(1-Chlorobutyl)-3-methoxybenzene
• CAS: 1742-00-3
• 化学式: C₁₁H₁₅ClO
• 分子量: 198.692
• InChiKey: XAAIENAEJNEFLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Chlor-1-<3-methoxy-phenyl>-butan 在 乙基溴化镁 、 吡啶盐酸盐 作用下， 以 乙醚 为溶剂， 生成 4,5-di-(3'-hydroxyphenyl)-octane
  参考文献：
  名称：

  Potential antiestrogens. Synthesis and evaluation of mammary tumor inhibiting activity of 1,2-dialkyl-1,2-bis(3'-hydroxyphenyl)ethanes

  摘要：

  The syntheses of the meso-1,2-dialkyl-1,2-bis(3'-hydroxyphenyl)ethanes [alkyl substituent: CH3 (19), C2H5 (20), C3H7 (22), C4H9 (23), i-C4H9 (24), and C5H11 (25)] and of d,l-3,4-bis(3'-hydroxyphenyl)hexane (21) are described. In vitro these compounds inhibited the [3H]estradiol receptor interaction competitively, exhibiting Ka values between 0.20 x 10(9) (20) and 0.11 x 10(6) M-1 (24). In vivo the meso compounds reduced the estrone-stimulated mouse uterine growth; the most effective compounds were 20, 22, and 23 (53, 50, and 45% inhibition, respectively). Compounds 20 and 22-24 showed weak estrogenic activity in the mouse uterine weight test and in the vaginal cornification test. Compounds 19 (NSC-297169), 20 (NSC-297170), and 22 (NSC-297171) exhibited a dose-dependent growth inhibition on the MCF-7 human breast tumor cell line (10(-6) to 10(-9) M). These compounds also showed a marked dose-dependent inhibition on the DMBA-induced, hormone-dependent mammary carcinoma of the Sprague-Dawley rat corresponding to their association constants.

  DOI：

  10.1021/jm00142a014
• 作为产物：
  描述：

  苯甲醇,3-甲氧基-a-丙基- 生成 1-Chlor-1-<3-methoxy-phenyl>-butan
  参考文献：
  名称：

  Novel di-(3'-hydroxyphenyl)-alkane compounds, process of preparation and

  摘要：

  二-(3'-羟基苯基)-烷烃及其甲醚化合物，化学式为##STR1##其中R为烷基，R'为H或甲基，对激素依赖性乳腺癌具有活性。

  公开号：

  US04094994A1

文献信息

• Novel di-(3'-hydroxyphenyl)-alkane compounds, process of preparation and
  申请人：Klinge Pharma GmbH

  公开号：US04094994A1

  公开（公告）日：1978-06-13

  Compounds of di-(3'-hydroxyphenyl)-alkanes and their methyl ethers, of the formula ##STR1## wherein R is alkyl and R' is H or methyl, have activity against hormone-dependent breast carcinoma.

  二-(3'-羟基苯基)-烷烃及其甲醚化合物，化学式为##STR1##其中R为烷基，R'为H或甲基，对激素依赖性乳腺癌具有活性。
• Analgetics Based on the Pyrrolidine Ring. IV
  作者：J. F. Cavalla、D. C. Bishop、R. A. Selway、N. E. Webb、C. V. Winder、M. Welford

  DOI：10.1021/jm00327a009

  日期：1965.5
• HARTMANN, R. W.;BUCHBORN, H.;KRANZFELDER, G.;SCHOENENBERGER, H.;BOGDEN, A+, J. MED. CHEM., 1981, 24, N 10, 1192-1197
  作者：HARTMANN, R. W.、BUCHBORN, H.、KRANZFELDER, G.、SCHOENENBERGER, H.、BOGDEN, A+

  DOI：——

  日期：——
• US4094994A
  申请人：——

  公开号：US4094994A

  公开（公告）日：1978-06-13
• Potential antiestrogens. Synthesis and evaluation of mammary tumor inhibiting activity of 1,2-dialkyl-1,2-bis(3'-hydroxyphenyl)ethanes
  作者：Rolf W. Hartmann、Helga Buchborn、Gerhard Kranzfelder、Helmut Schoenenberger、Arthur E. Bogden

  DOI：10.1021/jm00142a014

  日期：1981.10

  The syntheses of the meso-1,2-dialkyl-1,2-bis(3'-hydroxyphenyl)ethanes [alkyl substituent: CH3 (19), C2H5 (20), C3H7 (22), C4H9 (23), i-C4H9 (24), and C5H11 (25)] and of d,l-3,4-bis(3'-hydroxyphenyl)hexane (21) are described. In vitro these compounds inhibited the [3H]estradiol receptor interaction competitively, exhibiting Ka values between 0.20 x 10(9) (20) and 0.11 x 10(6) M-1 (24). In vivo the meso compounds reduced the estrone-stimulated mouse uterine growth; the most effective compounds were 20, 22, and 23 (53, 50, and 45% inhibition, respectively). Compounds 20 and 22-24 showed weak estrogenic activity in the mouse uterine weight test and in the vaginal cornification test. Compounds 19 (NSC-297169), 20 (NSC-297170), and 22 (NSC-297171) exhibited a dose-dependent growth inhibition on the MCF-7 human breast tumor cell line (10(-6) to 10(-9) M). These compounds also showed a marked dose-dependent inhibition on the DMBA-induced, hormone-dependent mammary carcinoma of the Sprague-Dawley rat corresponding to their association constants.