[2-amino-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-phenyl](3-chlorophenyl)methanone | 215034-79-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: [2-amino-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-phenyl](3-chlorophenyl)methanone
• 英文别名: [2-amino-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl](3-chlorophenyl)methanone；[2-amino-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-(3-chlorophenyl)methanone
• CAS: 215034-79-0
• 化学式: C₂₂H₁₇Cl₂NO₃
• 分子量: 414.288
• InChiKey: LROVBKGURRMFHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [2-amino-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-phenyl](3-chlorophenyl)methanone 在 盐酸 、 ammonium acetate 、 三乙胺 作用下， 以 甲醇 、 六甲基磷酰三胺 、 二氯甲烷 为溶剂， 生成 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-2(1H)-quinazolinone
  参考文献：
  名称：

  5-Imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors

  摘要：

  The evaluation of structure activity relationships associated with the modification of the R115777 quinolinone ring moiety displaying potent in vitro inhibiting activity is described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00180-x
• 作为产物：
  描述：

  3-氯苯腈 在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 甲醇 为溶剂， 生成 [2-amino-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-phenyl](3-chlorophenyl)methanone
  参考文献：
  名称：

  5-Imidazolyl-quinolinones, -quinazolinones and -benzo-azepinones as farnesyltransferase inhibitors

  摘要：

  The evaluation of structure activity relationships associated with the modification of the R115777 quinolinone ring moiety displaying potent in vitro inhibiting activity is described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00180-x

文献信息

• Farnesyltransferase inhibiting quinazolinones
  申请人：Janssen-Cilag S.A.

  公开号：US06177432B1

  公开（公告）日：2001-01-23

  This invention concerns compounds of formula the pharmaceutically acceptable acid addition salts and the stereochemically isomeric forms thereof, wherein the dotted line represents an optional bond; X is oxygen or sulfur; R1 and R2 each independently are hydrogen, hydroxy, halo, cyano, C1-6alkyl, trihalomethyl, trihalomethoxy, C2-6alkenyl, C1-6alkyloxy, hydroxyC1-6alkyloxy, C1-6alkyloxyC1-6alkyloxy, C1-6alkyloxycarbonyl, aminoC1-6alkyloxy, mono- or di(C1-6alkyl)aminoC1-6alkyloxy, Ar1, Ar1C1-6alkyl, Ar1oxy, Ar1C1-6alkyloxy; or when on adjacent positions R1 and R2 taken together may form a bivalent radical; R3 and R4 each independently are hydrogen, halo, cyano, C1-6alkyl, C1-6alkyloxy, Ar1oxy, C1-6alkylthio, di(C1-6alkyl)amino, trihalomethyl, trihalomethoxy; R5 is hydrogen, halo, cyano, optionally substituted C1-6alkyl, C1-6alkyloxycarbonyl or Ar1; or a radical of formula —OR10, —SR10, —NR11R12; R6 is an optionally substituted imidazolyl moiety; R7 is hydrogen or C1-6alkyl provided that the dotted line does not represent a bond; R8 is hydrogen, C1-6alkyl or Ar2CH2 or Het1CH2; R9 is hydrogen, C1-6alkyl, C1-6alkyloxy or halo, or R8 and R9 taken together may form a bivalent radical; Ar1 and Ar2 are optionally substituted phenyl and Het1 is optionally substituted pyridinyl; having farnesyl transferase inhibiting activity; their preparation, compositions containing them and their use as a medicine.

  这项发明涉及公式化合物的药用可接受酸盐和其立体化学异构体形式，其中虚线代表可选键；X为氧或硫；R1和R2各自独立地为氢、羟基、卤、氰基、C1-6烷基、三卤甲基、三卤甲氧基、C2-6烯基、C1-6烷氧基、羟基C1-6烷氧基、C1-6烷氧基C1-6烷氧基、C1-6烷氧羰基、氨基C1-6烷氧基、单或双(C1-6烷基)氨基C1-6烷氧基、Ar1、Ar1C1-6烷基、Ar1氧基、Ar1C1-6烷氧基；或当R1和R2在相邻位置时，两者结合形成二价基团；R3和R4各自独立地为氢、卤、氰基、C1-6烷基、C1-6烷氧基、Ar1氧基、C1-6烷硫基、双(C1-6烷基)氨基、三卤甲基、三卤甲氧基；R5为氢、卤、氰基、可选择取代的C1-6烷基、C1-6烷氧羰基或Ar1；或公式—OR10、—SR10、—NR11R12的基团；R6为可选择取代的咪唑基团；R7为氢或C1-6烷基，但虚线不代表键；R8为氢、C1-6烷基或Ar2CH2或Het1CH2；R9为氢、C1-6烷基、C1-6烷氧基或卤基，或R8和R9结合形成二价基团；Ar1和Ar2为可选择取代的苯基，Het1为可选择取代的吡啶基；具有法尼基转移酶抑制活性；它们的制备、含有它们的组合物以及它们作为药物的用途。
• Farnesyl transferase inhibiting benzoheterocyclic derivatives
  申请人：——

  公开号：US20040034218A1

  公开（公告）日：2004-02-19

  This invention comprises the novel compounds of formula (I) 1 wherein r, s, t, X, Z, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 have defined meanings, having farnesyl transferase inhibiting activity; their preparation, compositions containing them and their use as a medicine.

  这项发明包括具有法尼基转移酶抑制活性的式(I)1的新化合物，其中r、s、t、X、Z、R1、R2、R3、R4、R5、R6和R7具有定义的含义；它们的制备，含有它们的组合物以及它们作为药物的用途。
• FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0977750B1

  公开（公告）日：2007-07-04
• FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES
  申请人：Janssen Pharmaceutica NV

  公开号：EP1339709B1

  公开（公告）日：2009-06-24
• US6177432B1
  申请人：——

  公开号：US6177432B1

  公开（公告）日：2001-01-23