2-[3-(4-cyano-benzyl)-indolizin-1-yl]-2-oxo-N-pyridin-4-yl-acetamide | 501948-23-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 2-[3-(4-cyano-benzyl)-indolizin-1-yl]-2-oxo-N-pyridin-4-yl-acetamide
• 英文别名: 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-2-oxo-N-pyridin-4-ylacetamide
• CAS: 501948-23-8
• 化学式: C₂₃H₁₆N₄O₂
• 分子量: 380.406
• InChiKey: HLNOWXKLWAYRSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Indolizine compounds
  申请人：——

  公开号：US20030204090A1

  公开（公告）日：2003-10-30

  This invention relates to compounds of Formula (I) 1 wherein Ring A, X, Y, Z, R 1 , R 2 and R 3 are defined herein. These compounds are useful for treating and preventing cancer, inflammatory disorders, autoimmune diseases and other conditions involving PDE4 or elevated levels of cytokines. This invention also relates to pharmaceutical compositions comprising at least one compound of Formula (I) and methods for treating and preventing cancer, inflammatory disorders, autoimmune diseases and other conditions involving PDE4 or elevated levels of cytokines.

  这项发明涉及到化合物的公式（I）1，其中环A、X、Y、Z、R1、R2和R3在此处被定义。这些化合物对于治疗和预防癌症、炎症性疾病、自身免疫疾病和其他涉及PDE4或细胞因子水平升高的情况都是有用的。这项发明还涉及包含至少一个公式（I）的化合物的药物组合物，以及治疗和预防癌症、炎症性疾病、自身免疫疾病和其他涉及PDE4或细胞因子水平升高的情况的方法。
• INDOLIZINE COMPOUNDS
  申请人：——

  公开号：US20040116462A1

  公开（公告）日：2004-06-17

  This invention relates to indolizine compounds having formula 1 in which R 1 is H, lower alkyl, lower alkoxy, OH, F, Cl, Br, I, NO 2 , or CN; R 2 is alkyl optionally substituted with lower alkoxy, OH, CN, F, Cl, Br, I, NO 2 , NH 2 , C(O)NH 2 , CO 2 H, or CO 2 R′; or aryl optionally substituted with lower alkyl, lower alkoxy, OH, CN, F, Cl, Br, I, NO 2 , NH 2 , or C(O)NH 2 , CO 2 H, or CO 2 R′; R 3 is H or lower alkyl; R 4 is N-oxy pyridyl or pyridyl optionally substituted with F, Cl, Br, or I; and X is C(R′R″), N(R′), O, S, S(O), S(O) 2 , C(O), C(O)—N(R′), N(R′)—C(O), or deleted. Each of R′ and R″, independently, is H, or alkyl optionally substituted with lower alkoxy, OH, CN, F, Cl, Br, I, NO 2 , NH 2 , or C(O)NH 2 .

  本发明涉及具有以下公式的吲哚嗪化合物1： 其中，R1为H，较低的烷基，较低的烷氧基，OH，F，Cl，Br，I，NO2或CN；R2为烷基，可选地用较低的烷氧基，OH，CN，F，Cl，Br，I，NO2，NH2，C（O）NH2，CO2H或CO2R′取代；或芳基，可选地用较低的烷基，较低的烷氧基，OH，CN，F，Cl，Br，I，NO2，NH2或C（O）NH2，CO2H或CO2R′取代；R3为H或较低的烷基；R4为N-氧基吡啶基或吡啶基，可选地用F，Cl，Br或I取代；X为C（R′R″），N（R′），O，S，S（O），S（O）2，C（O），C（O）-N（R′），N（R′）-C（O）或删除。R′和R″各自独立地为H，或烷基，可选地用较低的烷氧基，OH，CN，F，Cl，Br，I，NO2，NH2或C（O）NH2取代。
• 1-Glyoxylamide indolizines for treating lung and ovarian cancer
  申请人：Koya Keizo

  公开号：US20050272766A1

  公开（公告）日：2005-12-08

  A method of treating a subject having lung cancer or ovarian cancer, comprising administering to the subject an effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt, solvate, or polymorph thereof: 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.

  一种治疗肺癌或卵巢癌受试者的方法，包括向受试者施用有效量的结构式（I）所代表的化合物或其药学上可接受的盐、溶液或多晶型物： 环 A 是取代或未取代的，可选择与芳基融合。 Z 1 和 Z 2 独立地为═O、═S、═N-OR 12 或═NR 12 R 1 和 R 2 独立地为-H、脂肪族基团、取代的脂肪族基团、未取代的非芳杂环族基团、取代的非芳杂环族基团、芳基或取代的芳基，条件是 R 1 和 R 2 并非都是-H。或者，-NR 1 R 2 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。 R 3 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(R 4 R 5 )-，-N(R 4 )-，-O-，-S-，-S(O)-，-S(O) 2 -，-C(═O)-，-C(═O)-N(R 4 )-，或-N(R 4 )-C(═O)-。 R 4 和 R 5 独立地为-H 或取代或未取代的脂肪族基团。 R 12 是-H 或取代或未取代的烷基。
• [EN] 1-GLYOXYLAMIDE INDOLIZINES FOR TREATING LUNG AND OVARIAN CANCER<br/>[FR] 1-GLYOXYLAMIDE INDOLIZINES DESTINES AU TRAITEMENT DU CANCER DU POUMON OU DE L'OVAIRE
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2005099824A1

  公开（公告）日：2005-10-27

  A method of treating a subject having lung cancer or ovarian cancer, comprising administering to the subject an effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt, solvate, or polymorph thereof: 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.