4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]-5-(hydroxymethyl)pyrimidin-2-yl]amino]benzonitrile | 882187-03-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]-5-(hydroxymethyl)pyrimidin-2-yl]amino]benzonitrile
• CAS: 882187-03-3
• 化学式: C₂₃H₂₀N₆O
• 分子量: 396.451
• InChiKey: GNKVHYAGWBEETB-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]-5-formylpyrimidin-2-yl]amino]benzonitrile 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 0.25h， 以45%的产率得到4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]-5-(hydroxymethyl)pyrimidin-2-yl]amino]benzonitrile
  参考文献：
  名称：

  [EN] HIV INHIBITING 5-CARBO- OR HETEROCYCLIC SUBSTITUTED PYRIMIDINES
  [FR] 5-CARBO- OU HETEROCYCLIQUES PYRIMIDINES SUBSTITUEES INHIBITRICES DE VIH

  摘要：

  公开号：

  WO2006035068A3

文献信息

• HIV INHIBITING 5-CARBO- OR HETEROCYCLIC SUBSTITUTED PYRIMIDINES
  申请人：Tibotec Pharmaceuticals

  公开号：EP1797048B1

  公开（公告）日：2011-08-17
• HIV INHIBITING 5-CARBO- OR HETEROCYCLYL SUBSTITUTED PYRIMIDINES
  申请人：Guillemont Emile Georges Jerome

  公开号：US20070208022A1

  公开（公告）日：2007-09-06

  HIV replication inhibitors of formula (I) N-oxides, a pharmaceutically acceptable addition salts, a quaternary amines or a stereoisomeric forms thereof, wherein -a 1 =a 2 -a 3 =a 4 - is —CH═CH—CH═CH—, —N═CH—CH═CH—, —N═CH—N═CH—, —N═CH—CH═N—, —N═N—CH═CH—; -b 1 =b 2 -b 3 =b 4 - is —CH═CH—CH═CH—, —N═CH—CH═CH—, —N═CH—N═CH—, —N═CH—CH═N—, —N═N—CH═CH—; R 1 is hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; optionally substituted C 1-6 alkyl; C 1-6 alkyloxycarbonyl; R 2 is OH; halo; optionally substituted C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl; substituted carbonyl; carboxyl; CN; nitro; amino; substituted amino; polyhalomethyl; polyhalo methylthio; —S(═O)rR 6 ; C(═NH)R 6 ; R 2a is CN; amino; substituted amino; optionally substituted C 1-6 alkyl; halo; optionally substituted C 2-6 alkyloxy; substituted carbonyl; —CH═N—NH—C(═O)—R 16 ; optionally substituted C 1-6 alkyloxy C 1-6 alkyl; substituted C 2-6 alkenyl or C 2-6 alkynyl; —C(═N—O—R 8 )—C 1-4 alkyl; R 7 or —X 3 —R 7 ; X 1 is —NR 1 —, —O—, —C(═O)—, CH 2 , —CHOH—, —S—, —S(═O) r —; R 3 is CN; amino; C 1-6 alkyl; halo; optionally substituted C 1-6 alkyloxy; substituted carbonyl; —CH═N—NH—C(═O)—R 16 ; substituted C 1-6 alkyl; optionally substituted C 1-6 alkyloxy C 1-6 alkyl; substituted C 2-6 alkenyl or C 2-6 alkynyl; —C(═N—O—R 8 )—C 1-4 alkyl; R 7 ; —X 3 —R 7 ; R 4 is halo; OH; optionally substituted C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl; C 3-7 cycloalkyl; C 1-6 alkyloxy; CN; nitro; polyhalo C 1-6 alkyl; polyhalo C 1-6 alkyloxy; substituted carbonyl; formyl; amino; mono- or di(C 1-4 alkyl)amino or R 7 ; R 5 is —Y—C q H2 q -L or —C q H 2q —Y—C r H 2r -L; L is aryl or Het; processes for the preparation of these compounds, pharmaceutical compositions comprising these compounds as active ingredient and the use of these compounds for the prevention or the treatment of HIV infection.
• US7531548B2
  申请人：——

  公开号：US7531548B2

  公开（公告）日：2009-05-12
• [EN] HIV INHIBITING 5-CARBO- OR HETEROCYCLIC SUBSTITUTED PYRIMIDINES<br/>[FR] 5-CARBO- OU HETEROCYCLIQUES PYRIMIDINES SUBSTITUEES INHIBITRICES DE VIH
  申请人：TIBOTEC PHARM LTD

  公开号：WO2006035068A3

  公开（公告）日：2006-08-31