5-acetyl-nicotinamide | 59936-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-acetyl-nicotinamide
• 英文别名: 5-acetylnicotinamide；5-Acetylpyridin-3-carboxamid；3-Pyridinecarboxamide, 5-acetyl-；5-acetylpyridine-3-carboxamide
• CAS: 59936-03-7
• 化学式: C₈H₈N₂O₂
• mdl: MFCD18803065
• 分子量: 164.164
• InChiKey: FDTURNAKIKDFJB-UHFFFAOYSA-N

物化性质

• 沸点：
  365.1±27.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-acetyl-nicotinamide 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以80%的产率得到5-(1,6-naphthyridin-2-yl)nicotinamide
  参考文献：
  名称：

  Kinase inhibitors

  摘要：

  具有以下化学式的化合物对抑制蛋白激酶很有用。还公开了抑制蛋白激酶的组合物以及在患者中抑制蛋白激酶的方法。

  公开号：

  US20030187026A1
• 作为产物：
  描述：

  5-溴烟酰胺 、 三丁基(1-乙氧基乙烯)锡 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以78%的产率得到5-acetyl-nicotinamide
  参考文献：
  名称：

  Kinase inhibitors

  摘要：

  具有以下化学式的化合物对抑制蛋白激酶很有用。还公开了抑制蛋白激酶的组合物以及在患者中抑制蛋白激酶的方法。

  公开号：

  US20030199511A1

文献信息

• Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors)
  申请人：Freyne Eddy Jean Edgard

  公开号：US20050004125A1

  公开（公告）日：2005-01-06

  This invention concerns a compound of formula a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein ring A is a 6-membered heterocycle; R 1 is hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; optionally substituted C 1-6 alkyl; C 1-6 alkyloxycarbonyl; optionally substituted C 1-6 alkyloxyC 1-6 alkylcarbonyl; X is a direct bond or a linker atom or group; Z is a direct bond or a linker atom or group; R 2 is hydrogen, C 1-10 alkyl, C 2-10 alkenyl, C 2-10 alkynyl, a carbocycle or a heterocycle, each of said groups may optionally be substituted; R 3 is hydrogen; hydroxy; halo; optionally substituted C 1-6 alkyl or C 2-6 alkenyl or C 2-6 alkynyl; C 1-6 alkyloxy; C 1-6 alkylthio; C 1-6 alkyloxycarbonyl; C 1-6 alkylcarbonyloxy; carboxyl; cyano; nitro; amino; mono- or di(C 1-6 alkyl)amino; polyhaloC 1-6 alkyl; polyhaloC 1-6 alkyloxy; polyhaloC 1-6 alkylthio; R 21 ; R 21 —C 1-6 alkyl; R 21 —O—; R 21 —S—; R 21 —C(═O)—; R 21 —S(═O) p —; R 7 —S(═O) p —; R 7 —S(═O) p —NH—; R 21 —S(═O) p —NH—; R 7 —C(═O)—; —NHC(═O)H; —C(═O)NHNH 2 ; R 7 —C(═O)—NH—; R 21 —C(═O)—NH—; —C(═NH)R 7 —C(═NH)R 21 ; R 4 is an optionally substituted heterocycle provided that —X—R 2 and/or R 3 is other than hydrogen; their use, pharmaceutical compositions comprising them and processes for their preparation.

  本发明涉及一种式为N-氧化物的化合物，其药学上可接受的加合盐，季铵盐及其立体化学异构体，其中环A是6元杂环；R1是氢；芳基；甲酰基；C1-6烷基羰基；可选取代的C1-6烷基；C1-6烷氧羰基；可选取代的C1-6烷氧基C1-6烷基羰基；X是直接键或连接原子或基团；Z是直接键或连接原子或基团；R2是氢，C1-10烷基，C2-10烯基，C2-10炔基，碳环或杂环，每个所述基团可以选择性地被取代；R3是氢；羟基；卤素；可选取代的C1-6烷基或C2-6烯基或C2-6炔基；C1-6烷氧基；C1-6烷基硫基；C1-6烷氧羰基；C1-6烷基羰酸酯基；羧基；氰基；硝基；氨基；单烷基或双烷基(C1-6)氨基；多卤素C1-6烷基；多卤素C1-6烷氧基；多卤素C1-6烷硫基；R21；R21-C1-6烷基；R21-O-；R21-S-；R21-C(═O)-；R21-S(═O)p-；R7-S(═O)p-NH-；R21-S(═O)p-NH-；R7-C(═O)-；-NHC(═O)H；-C(═O)NHNH2；R7-C(═O)-NH-；R21-C(═O)-NH-；-C(═NH)R7-C(═NH)R21；R4是可选取代的杂环，前提是-X-R2和/或R3不是氢；它们的用途，包括含有它们的制药组合物以及它们的制备方法。
• Thiazole derivatives, processes for the preparation thereof and
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05371097A1

  公开（公告）日：1994-12-06

  A compound of the formula: ##STR1## wherein R.sup.1 is amino, acylamino, cyclo(lower)alkenylamino having amino and oxo, imido, triazolylamino, benzoisothiazolylamino, wherein each of said heterocyclicamino groups may be substituted by one or more substituent(s) selected from the group consisting of lower alkyl, amino and oxo, 2-cyano-3-lower alkylguanidino, 2-acyl-3-lower alkylguanidino, 2-acylguanidino, (1-lower alkylamino-2-nitrovinyl)amino, hydroxy, halogen, cyano, acyl, benzimidazolylthio, triazolyl substituted with amino, or a group of the formula: ##STR2## in which R.sup.4 is hydrogen, cyano, or acyl, and R.sup.5 is amino or lower alkoxy, R.sup.2 and R.sup.3 are each hydrogen, acyl or lower alkyl which may have halogen; or R.sup.2 and R.sup.3 are linked together to form lower alkylene, Y is ##STR3## in which R.sup.6 is hydrogen or halogen, and A is lower alkylene, or pharmaceutically acceptable salt thereof.

  该化合物的化学式为：##STR1## 其中R.sup.1为氨基，酰胺基，环(较低)烯基氨基，具有氨基和氧代的亚胺基，三唑基氨基，苯并异噻唑基氨基，其中所述的每个杂环氨基基团可以被选自较低烷基，氨基和氧代的一个或多个取代基取代，2-氰基-3-较低烷基胍基，2-酰基-3-较低烷基胍基，2-酰基胍基，(1-较低烷基氨基-2-硝基乙烯基)氨基，羟基，卤素，氰基，酰基，苯并咪唑基硫醚，三唑基被氨基取代，或一个化学式为：##STR2## 其中R.sup.4为氢，氰基或酰基，R.sup.5为氨基或较低烷氧基，R.sup.2和R.sup.3为氢，酰基或较低烷基，可以具有卤素；或R.sup.2和R.sup.3连接在一起形成较低烷基，Y为##STR3## 其中R.sup.6为氢或卤素，A为较低烷基，或其药学上可接受的盐。
• New thiazole derivatives, and pharmaceutical composition comprising the
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05364871A1

  公开（公告）日：1994-11-15

  A compound of the formula: ##STR1## wherein R.sup.1 is amino, ureido, lower alkanoylamino, lower alkoxycarbonylamino, lower alkylsulfonylamino, lower alkoxy(lower)alkanoylamino, mono or di or trihalo(lower)alkanoylamino, hydroxy(lower)alkanoylamino, protected hydroxy(lower)alkanoylamino, or a group of the formula: ##STR2## in which R.sup.4 is hydrogen or sulfamoyl, R.sup.5 is amino or lower alkoxy, R.sup.2 is hydrogen, lower alkyl, lower alkoxy(lower)alkyl, di(lower)alkylamino(lower)alkyl, (C.sub.3 -C.sub.7)-cycloalkyl, lower alkenyl or mono or di or trihalo(lower)alkyl; R.sup.3 is hydrogen or lower alkyl; or R.sup.2 and R.sup.3 are linked together to form lower alkylene, Y is ##STR3## in which R.sup.6 is hydrogen, A is lower alkylene, and W is NH; or R.sup.2 -W is piperidino or morpholino, or pharmaceutically acceptable salt thereof.

  该化合物的公式为：##STR1##其中R.sup.1为氨基，尿素基，较低的酰胺基，较低的烷氧羰基胺基，较低的烷基磺酰胺基，较低的烷氧（较低）酰胺基，单烷基或二或三卤代（较低）烷酰胺基，羟基（较低）烷酰胺基，保护羟基（较低）烷酰胺基，或公式：##STR2##其中R.sup.4为氢或磺酰基，R.sup.5为氨基或较低的烷氧基，R.sup.2为氢，较低的烷基，较低的烷氧（较低）烷基，二（较低）烷基氨基（较低）烷基，（C.sub.3-C.sub.7）-环烷基，较低的烯基或单烷基或二或三卤代（较低）烷基；R.sup.3为氢或较低的烷基；或者R.sup.2和R.sup.3相连形成较低的烷基，Y为##STR3##其中R.sup.6为氢，A为较低的烷基，W为NH；或R.sup.2-W为哌啶基或吗啉基，或其药学上可接受的盐。
• New thiazole derivatives, processes for the preparation thereof and pharmaceutical compositon comprising the same
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0417751A2

  公开（公告）日：1991-03-20

  A compound of the formula : wherein R' is amino which may have suitable substituent ( s). hydroxy. halogen, cyano, acyl, heterocyclic thio, heterocyclic group or a group of the formula : in which R4 is hydrogen, cyano or acyl. and R5 is amino or lower alkoxy. R2 and R3 are each hydrogen, acyl or lower alkyl which may have halogen: or R2 and R3 are linked together to form lower alkylene. in which R6 is hydrogen or halogen, and A is bond or lower alkylene, provided that when R1 is amino which may have suitable substituent(s) and A is bond; or R1 is lower alkylthioureido and A is lower alkylene, then and pharmaceutically acceptable salt thereof, processes for their preparation and pharmaceutical compositions comprising them as an active. ingredient.

  式中的化合物 其中 R'为氨基，可具有合适的取代基（s）、羟基、卤素、氰基、酰基、杂环硫基、杂环基团或式......的基团： 其中 R4 是氢、氰基或酰基。 R5 是氨基或低级烷氧基。 R2 和 R3 各为氢、酰基或低级烷基，其中可含卤素：或 R2 和 R3 连接在一起形成低级亚烷基。 其中 R6 是氢或卤素，以及 A 是键或低级亚烷基、 条件是 当 R1 是氨基，可有适当的取代基，且 A 为键；或 R1 为低级烷基硫脲基，且 A 为低级亚烷基时 且 A 为低级亚烷基，则 以及它们的药学上可接受的盐、它们的制备方法和含有它们作为活性成分的药物组合物。
• HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS)
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1448556A1

  公开（公告）日：2004-08-25