Isoquinoline-8-carboxamide | 1337881-25-0

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: Isoquinoline-8-carboxamide
• CAS: 1337881-25-0
• 化学式: C₁₀H₈N₂O
• 分子量: 172.18
• InChiKey: LLVBUQHDQQCEAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] ANTI-TUMOUR COMPOUNDS<br/>[FR] COMPOSES ANTITUMORAUX
  申请人：UNIV TROBE

  公开号：WO2002030906A1

  公开（公告）日：2002-04-18

  A compound of formula (II) in which positional numbering, where mentioned, refers to the system illustrated above, and one or more W and one or more U are attached to a ring carbon or carbons at any of positions 1-11 or to a ring nitrogen at position 7 if present, and in which: W is C(=Q)NRCHJ(CH2)nR1 where Q is O or S, R is hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, J is H or a C1-C6 alkyl group optionally substituted with OH, OMe, NH2, NHMe or NMe2 functions, R?1¿ is C(=NR2)NH2, NHC(=NR3)NH2 or NR4R5, where each of R?2 and R3¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, and R?4 and R5¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, or R?4 and R5¿ together with the nitrogen atom to which they are attached form an optionally substituted saturated or unsaturated heterocyclic group; and n is an integer from 0 to 5; X, Y, V are independently CH or N; Z is CH¿2?, CH-C1-4 alkyl, CO, O, S, SO, SO2, N-C1-4 alkyl or NH; and U is H, halo, OH, CO2H, NR?6R7¿, nitro, cyano, C¿1-6? alkyl, C1-6 haloalkyl, C1-6 alkoxy, C1-6 haloalkoxy, C1-6 aminoalkyl or C1-6 aminoalkoxy in which R?6 and R7¿ have the same definitions as R?4 and R5¿ above; or a pharmaceutically-acceptable salt, N-oxide, hydrate, solvate, pharmaceutically acceptable derivative, pro-drug, tautomer or isomer thereof, with the proviso that W at position 4 cannot be CONH(CH¿2?)2NMe2, CONH(CH2)2NEt2, CONH(CH2)3NMe2, CONH(CH2)3NEt2, CONH(CH2)2Npiperidyl, or CONH(CH2)2Nmorpholinyl, when X and Y are N, V is CH, U is H and Z is CO. 'Bis' compounds and carboxylic acid precursors are also claimed. The compounds are useful in the treatment of neoplastic conditions such as cancer.

  式（II）的化合物，其中位置编号（如有提及）是指上述系统，其中一个或多个W和一个或多个U附加到任何1-11位置的环碳或碳上，或附加到7号位置的环氮（如存在），其中：W是C（=Q）NRCHJ（CH2）nR1，其中Q为O或S，R为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，J为H或可选地取代OH，OMe，NH2，NHMe或NMe2功能的C1-C6烷基，R?1¿为C（=NR2）NH2，NHC（=NR3）NH2或NR4R5，其中R?2和R3¿各自独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，而R?4和R5¿独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，或者R?4和R5¿与它们附着的氮原子一起形成可选地取代的饱和或不饱和杂环基团；n是0到5的整数；X，Y，V各自独立地为CH或N；Z为CH¿2？，CH-C1-4烷基，CO，O，S，SO，SO2，N-C1-4烷基或NH；U为H，卤素，OH，CO2H，NR?6R7¿，硝基，氰基，C¿1-6？烷基，C1-6卤代烷基，C1-6烷氧基，C1-6卤代烷氧基，C1-6氨基烷基或C1-6氨基烷氧基，其中R?6和R7¿与上述R?4和R5¿的定义相同；或其药学上可接受的盐，N-氧化物，水合物，药学上可接受的衍生物，前药，互变异构体，但在X和Y为N，V为CH，U为H，Z为CO时，位置4的W不能是CONH（CH¿2？）2NMe2，CONH（ ）2NEt2，CONH（ ）3NMe2，CONH（ ）3NEt2，CONH（ ）2Npiperidyl或CONH（ ）2Nmorpholinyl。还声明了“双”化合物和羧酸前体。这些化合物在治疗癌症等肿瘤条件方面有用。
• Pyrazole Compounds Useful In The Treatment Of Inflammation
  申请人：Nilsson Peter

  公开号：US20070225318A1

  公开（公告）日：2007-09-27

  There is provided compounds of formula (I), wherein R 1 , R 2 , R a and R b have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a lipoxygenase (e.g. 15-lipoxygenase) is desired and/or required, and particularly in the treatment of inflammation.

  提供了公式(I)的化合物，其中R1、R2、Ra和Rb的含义在说明中给出，并且其药学上可接受的盐，在抑制脂氧化酶（例如15-脂氧化酶）活性所需或所期望的疾病的治疗中非常有用，特别是在治疗炎症方面。
• BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS
  申请人：Novartis AG

  公开号：EP1917246B1

  公开（公告）日：2009-11-11
• US8461107B2
  申请人：——

  公开号：US8461107B2

  公开（公告）日：2013-06-11