4-(Indolizin-3-yl-Methyl-Amino)-Benzonitrile | 501948-47-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-(Indolizin-3-yl-Methyl-Amino)-Benzonitrile
• 英文别名: 4-[Indolizin-3-yl(methyl)amino]benzonitrile
• CAS: 501948-47-6
• 化学式: C₁₆H₁₃N₃
• 分子量: 247.299
• InChiKey: DZGKBQIQKDKLRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 1-Glyoxlylamide indolizines for treating cancer
  申请人：SBR Pharmaceuticals Corp.

  公开号：US20030153759A1

  公开（公告）日：2003-08-14

  Disclosed is a compound represented by Structural Formula (I): 1 Ring A is substituted or unsubstituted and optionally fused to an aryl group. Z 1 and Z 2 are independently ═O, ═S, ═N—OR 12 or ═NR 12 R 1 and R 2 are independently —H, an aliphatic group, a substituted aliphatic group, an unsubstituted non-aromatic heterocylic group, a substituted non-aromatic heterocylic group, an aryl group or a substituted aryl group, provided that R 1 and R 2 are not both —H. Alternatively, —NR 1 R 2 , taken together, is a substituted or unsubstituted non-aromatic nitrogen-containing heterocyclic group or a substituted or unsubstituted nitrogen-containing heteroaryl group. R 3 is a substituted or unsubstituted aryl group or a substituted or unsubstituted aliphatic group. X is a covalent bond, —C(R 4 R 5 )—, —N(R 4 )—, —O—, —S—, —S(O)—, —S(O) 2 —, —C(═O)—, —C(═O)—N(R4)-, or —N(R 4 )—C(═O)—. R 4 and R 5 are independently —H or a substituted or unsubstituted aliphatic group. R 12 is —H or a substituted or unsubstituted alkyl group.

  揭示了一种由结构式（I）表示的化合物： 1环A是取代或未取代的，并可选择地与芳基基团融合。 Z1和Z2独立地是═O、═S、═N—OR12或═NR12。 R1和R2独立地是—H、一种脂肪基、一种取代脂肪基、一种未取代非芳杂环基团、一种取代非芳杂环基团、一种芳基或一种取代芳基，但要求R1和R2不能都是—H。或者，—NR1R2在一起是一种取代或未取代的非芳基含氮杂环基团或一种取代或未取代的含氮杂环芳基基团。 R3是一种取代或未取代的芳基或取代或未取代的脂肪基。 X是一个共价键，—C(R4R5)—、—N(R4)—、—O—、—S—、—S(O)—、—S(O)2—、—C(═O)—、—C(═O)—N(R4)-或—N(R4)—C(═O)—。 R4和R5独立地是—H或一种取代或未取代的脂肪基。 R12是—H或一种取代或未取代的烷基基团。
• 1-glyoxylamide indolizines for treating cancer
  申请人：Synta Pharmaceuticals Corp.

  公开号：US20040214850A1

  公开（公告）日：2004-10-28

  Disclosed is a compound represented by Structural Formula (I): 1 Ring A is substituted or unsubstituted and optionally fused to an aryl group. Z 1 and Z 2 are independently ═O, ═S, ═N—OR 12 or ═NR 12 R 1 and R 2 are independently —H, an aliphatic group, a substituted aliphatic group, an unsubstituted non-aromatic heterocylic group, a substituted non-aromatic heterocylic group, an aryl group or a substituted aryl group, provided that R 1 and R 2 are not both —H. Alternatively, —NR 1 R 2 , taken together, is a substituted or unsubstituted non-aromatic nitrogen-containing heterocyclic group or a substituted or unsubstituted nitrogen-containing heteroaryl group. R 3 is a substituted or unsubstituted aryl group or a substituted or unsubstituted aliphatic group. X is a covalent bond, —C(R 4 R 5 )—, —N(R 4 )—, —O—, —S—, —S(O)—, —S(O) 2 —, —C(═O)—, —C(═O)—N(R 4 )—, or —N(R 4 )—C(═O)—. R 4 and R 5 are independently —H or a substituted or unsubstituted aliphatic group. R 12 is —H or a substituted or unsubstituted alkyl group.

  本发明涉及一种由结构式（I）所表示的化合物： 1环A被取代或未取代，并且可以与芳基团融合。 Z1和Z2独立地是═O、═S、═N—OR12或═NR12。 R1和R2独立地是—H、一个脂肪基、一个取代脂肪基、一个未取代非芳香杂环基、一个取代非芳香杂环基、一个芳基或一个取代芳基，但R1和R2不能同时是—H。或者，—NR1R2取在一起是一个取代或未取代的非芳香含氮杂环基或一个取代或未取代的含氮杂环基。 R3是一个取代或未取代的芳基或一个取代或未取代的脂肪基。 X是一个共价键、—C(R4R5)—、—N(R4)—、—O—、—S—、—S(O)—、—S(O)2—、—C(═O)—、—C(═O)—N(R4)—或—N(R4)—C(═O)—。 R4和R5独立地是—H或一个取代或未取代的脂肪基。 R12是—H或一个取代或未取代的烷基。
• 1-Glyoxylamide indolizines for treating cancer
  申请人：Synta Pharmaceuticals Corporation

  公开号：EP1598352A1

  公开（公告）日：2005-11-23

  Disclosed is a compound represented by Structural Formula (I): Ring A is substituted or unsubstituted and optionally fused to an aryl group. Z1 and Z2 are independently =O, =S, =N-OR12 or =NR12 R1 and R2 are independently -H, an aliphatic group, a substituted aliphatic group, an unsubstituted non-aromatic heterocylic group, a substituted non-aromatic heterocylic group, an aryl group or a substituted aryl group, provided that R1 and R2 are not both -H. Alternatively, -NR1R2, taken together, is a substituted or unsubstituted non-aromatic nitrogen-containing heterocyclic group or a substituted or unsubstituted nitrogen-containing heteroaryl group. R3 is a substituted or unsubstituted aryl group or a substituted or unsubstituted aliphatic group. X is a covalent bond, -C(R4R5)-, -N(R4)-, -O-, -S-, -S(O)-, -S(O)2-, -C(=O)-, -C(=O)-N(R4)-, or -N(R4)-C(=O)-. R4 and R5 are independently -H or a substituted or unsubstituted aliphatic group. R12 is -H or a substituted or unsubstituted alkyl group.

  本发明公开了一种由结构式 (I) 表示的化合物： 环 A 是取代或未取代的，可选择与芳基融合。 Z1 和 Z2 独立地为 =O、=S、=N-OR12 或 =NR12 R1 和 R2 独立地为-H、脂肪族基团、取代的脂肪族基团、未取代的非芳香族杂环基团、取代的非芳香族杂环基团、芳基或取代的芳基，但 R1 和 R2 不能同时为-H。或者，-NR1R2 合在一起是取代或未取代的非芳香族含氮杂环基团或取代或未取代的含氮杂芳基。 R3 是取代或未取代的芳基或取代或未取代的脂肪族基团。 X 是共价键、-C(R4R5)-、-N(R4)-、-O-、-S-、-S(O)-、-S(O)2-、-C(＝O)-、-C(＝O)-N(R4)-或-N(R4)-C(＝O)-。 R4 和 R5 独立地是-H 或取代或未取代的脂肪族基团。 R12 是-H 或取代或未取代的烷基。
• 1-GLYOXLYLAMIDE INDOLIZINES FOR TREATING CANCER
  申请人：Synta Pharmaceuticals Corporation

  公开号：EP1432709B1

  公开（公告）日：2005-07-27
• US6861436B2
  申请人：——

  公开号：US6861436B2

  公开（公告）日：2005-03-01