2-Fluoro-4-(1-pyridin-3-yl-methanoyl)-benzonitrile | 350791-97-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Fluoro-4-(1-pyridin-3-yl-methanoyl)-benzonitrile
• 英文别名: 2-fluoro-4-(pyridine-3-carbonyl)benzonitrile
• CAS: 350791-97-8
• 化学式: C₁₃H₇FN₂O
• 分子量: 226.21
• InChiKey: HSBBUJJBIMUKOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Fluoro-4-(1-pyridin-3-yl-methanoyl)-benzonitrile 在 盐酸 、 titanium(IV) tetraethanolate 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 1.0h， 生成 1-(3-Methyl-3H-imidazol-4-yl)-1-phenyl-ethylamine
  参考文献：
  名称：

  Asymmetric synthesis of α,α-diaryl and α-aryl-α-heteroaryl alkylamines by organometallic additions to N-tert- butanesulfinyl ketimines

  摘要：

  Organometallic addition to tert-butanesufinyl ketimines derived from diaryl and aryl-heteroaryl ketones provided the corresponding alpha,alpha -diaryl and alpha -aryl-alpha -heteroaryl alkylamines in good yield with high diastereoselectivity. In many cases, imine facial selectivity is reversed on changing the organometallic counterion. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(01)01513-1
• 作为产物：
  描述：

  2-Fluoro-4-(1-hydroxy-1-pyridin-3-yl-methyl)-benzonitrile 在 二氧化锰 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 2-Fluoro-4-(1-pyridin-3-yl-methanoyl)-benzonitrile
  参考文献：
  名称：

  Inhibitors of prenyl-protein transferase

  摘要：

  本发明涉及一种肽类模拟大环化合物，其能够抑制戊二酰基蛋白转移酶和致癌基因蛋白Ras的戊二酰基化。本发明还涉及包含本发明化合物的化疗组合物，以及用于抑制戊二酰基蛋白转移酶和致癌基因蛋白Ras的戊二酰基化的方法。

  公开号：

  US20020049217A1

文献信息

• US6525074B2
  申请人：——

  公开号：US6525074B2

  公开（公告）日：2003-02-25
• [EN] INHIBITORS OF PRENYL-PROTEIN TRANSFERASE<br/>[FR] INHIBITEURS DE LA PRENYL-PROTEINE TRANSFERASE
  申请人：MERCK & CO INC

  公开号：WO2001051126A1

  公开（公告）日：2001-07-19

  The present invention is directed to peptidomimetic macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.
• Asymmetric synthesis of α,α-diaryl and α-aryl-α-heteroaryl alkylamines by organometallic additions to N-tert- butanesulfinyl ketimines
  作者：Anthony W Shaw、S.Jane deSolms

  DOI：10.1016/s0040-4039(01)01513-1

  日期：2001.10

  Organometallic addition to tert-butanesufinyl ketimines derived from diaryl and aryl-heteroaryl ketones provided the corresponding alpha,alpha -diaryl and alpha -aryl-alpha -heteroaryl alkylamines in good yield with high diastereoselectivity. In many cases, imine facial selectivity is reversed on changing the organometallic counterion. (C) 2001 Published by Elsevier Science Ltd.
• Inhibitors of prenyl-protein transferase
  申请人：——

  公开号：US20020049217A1

  公开（公告）日：2002-04-25

  The present invention is directed to peptidomimetic macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及抑制戊二醇-蛋白转移酶和致癌基因蛋白Ras的肽类模拟大环化合物。该发明还涉及含有本发明化合物的化疗组合物以及抑制戊二醇-蛋白转移酶和致癌基因蛋白Ras的方法。