5-Carbamoylquinoline-4-Carboxylic Acid | 220998-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-Carbamoylquinoline-4-Carboxylic Acid
• CAS: 220998-71-0
• 化学式: C₁₁H₈N₂O₃
• 分子量: 216.196
• InChiKey: AHEZQUHELCPHSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 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：
  93.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  正丁基锂 、 4-hydroxyquinoline-5-carboxamide 以 四氢呋喃 、 正己烷 、 sodium carbonate 为溶剂， 生成 5-Carbamoylquinoline-4-Carboxylic Acid
  参考文献：
  名称：

  Carboxamide compounds, methods, and compositions for inhibiting PARP activity

  摘要：

  本发明提供了羧酰胺化合物，用于抑制PARP活性的方法和组合物。

  公开号：

  US06395749B1

文献信息

• Carboxamine compounds, methods and compositions for inhibiting PARP activity
  申请人：Guilford Pharmaceuticals Inc.

  公开号：US20020156050A1

  公开（公告）日：2002-10-24

  A compound of formula I: 1 or a pharmaceutically acceptable salt, hydrate, ester, solvate, prodrug, metabolite, stereoisomer, or mixtures thereof; wherein: Y represents the atoms necessary to form a fused 5- to 6-membered, aromatic or non-aromatic, carbocyclic or N-containing heterocyclic ring, wherein Y and any heteroatom(s) therein are unsubstituted or independently substituted by at least one non-interfering alkyl, alkenyl, cycloalkyl, cycloalkenyl, aralkyl, aryl, carboxy or halo substituent; X is at the 1-position of ring Y and is —COOR 5 or a substituted or unsubstituted moiety selected from the group consisting of 2 wherein R 7 is hydrogen, alkyl, alkenyl, cycloalkyl or cycloalkenyl, and is itself either unsubstituted or substituted with an alkyl, alkenyl, cycloalkyl or cycloalkenyl group; R 1 is hydrogen, alkyl, alkenyl, cycloalkyl or cycloalkenyl, and is itself either unsubstituted or substituted with an alkyl, alkenyl, cycloalkyl or cycloalkenyl group; R 2 , R 3 , R 4 and R 5 are independently hydrogen, alkyl, alkenyl, cycloalkyl, cycloalkenyl, aralkyl, or aryl, and are either unsubstituted or substituted with a moiety selected from the group consisting of alkyl, alkenyl, alkoxy, phenoxy, benzyloxy, cycloalkyl, cycloalkenyl, hydroxy, carboxy, carbonyl, amino, amido, cyano, isocyano, nitro, nitroso, nitrilo, isonitrilo, imino, azo, diazo, sulfonyl, sulfoxy, thio, thiocarbonyl, sulfhydryl, halo, haloalkyl, trifluoromethyl and aryl.

  式 I 的化合物： 1 或其药学上可接受的盐、水合物、酯、溶液剂、原药、代谢物、立体异构体或混合物；其中 Y 代表形成融合的 5 至 6 元、芳香族或非芳香族、碳环或含 N 的杂环所需的原子，其中 Y 及其中的任何杂原子未被取代或独立地被至少一个无干扰的烷基、烯基、环烷基、环烯基、芳基、芳基、羧基或卤代取代基取代； X 位于环 Y 的 1 位，并且是 -COOR 5 或选自以下组别的取代或未取代分子 2 其中 R 7 是氢、烷基、烯基、环烷基或环烯基，且本身未被取代或被烷基、烯基、环烷基或环烯基取代； R 1 是氢、烷基、烯基、环烷基或环烯基，且本身未被取代或被烷基、烯基、环烷基或环烯基取代； R 2 , R 3 , R 4 和 R 5 环烷基、环烯基、羟基、羧基、羰基、氨基、酰胺基、氰基、异氰基、硝基、亚硝基、 尼基、异尼基、亚氨基、偶氮、重氮、磺酰基、磺氧、硫代、硫代羰基、巯基、卤代、 卤代烷基、三氟甲基和芳基。
• PARP INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS OF USING SAME
  申请人：GUILFORD PHARMACEUTICALS INC.

  公开号：EP1012153A1

  公开（公告）日：2000-06-28
• USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES
  申请人：DelMar Pharmaceuticals, Inc.

  公开号：US20180071244A1

  公开（公告）日：2018-03-15

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of malignancies of the central nervous system in pediatric patients, including glioblastoma multiforme (GBM) high grade glioma, and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation and that can induce double-stranded breaks in DNA. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents (e.g. cisplatin) and can possess additive or super-additive effects.
• USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER
  申请人：Bacha Jeffrey A.

  公开号：US20190091195A1

  公开（公告）日：2019-03-28

  Substituted hexitol derivatives such as dianhydrogalactitol are useful in the treatment of various neoplastic pathologies. Said pathologies include glioblastoma multiforme, non-small-cell lung carcinoma (NSCLC), ovarian cancer, and leptomeningeal carcinomatosis. The anti-neoplastic activity of dianhydrogalactitol is demonstrated to be due to its activity as an alkylating agent that creates N 7 methylation and inter-strand DNA crosslinks. The hexitol derivatives may be used alone or in combination with other anti-neoplastic agents.
• US6395749B1
  申请人：——

  公开号：US6395749B1

  公开（公告）日：2002-05-28