4,5,6,7-四氢-1H-咪唑并[4,5-c]吡啶-6-羧酸 | 495-77-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4,5,6,7-四氢-1H-咪唑并[4,5-c]吡啶-6-羧酸
• 英文名称: Spinacine
• 英文别名: Spinacin；4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid；(+/-)-4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridin-6-carbonsaeure；NoName_3197；4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate
• CAS: 495-77-2
• 化学式: C₇H₉N₃O₂
• mdl: MFCD00182109
• 分子量: 167.167
• InChiKey: YCFJXOFFQLPCHD-UHFFFAOYSA-N

物化性质

• 熔点：
  265 °C
• 沸点：
  552.2±50.0 °C(Predicted)
• 密度：
  1.439±0.06 g/cm3(Predicted)
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  78
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢-1H-咪唑并[4,5-c]吡啶-6-羧酸 在 ammonium persulfate 、 silver nitrate 作用下， 以 水 、 乙腈 为溶剂， 以79%的产率得到1H-咪唑[4,5-C]吡啶
  参考文献：
  名称：

  Facile Synthesis of Isoquinolines, β‐Carbolines, and 3‐Deazapurines

  摘要：

  Isoquinoline, beta-carbolines, and 3-deazapurines were prepared in 52-81% yields via oxidative decarboxylation of cyclic alpha-amino acids using ammonium persulfate as an oxidant in the presence of catalytic silver.

  DOI：

  10.1080/00397910701392459
• 作为产物：
  描述：

  L-组氨酸 以49%的产率得到
  参考文献：
  名称：

  KLUTCHKO, SYLVESTER;HODGES, JOHN C.;BLANKLEY, C. JOHN;COLBRY, NORMAN L., J. HETEROCYCL. CHEM., 28,(1991) N, C. 97-108

  摘要：

  DOI：

文献信息

• Hydroxylated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014733A1

  公开（公告）日：2007-01-18

  Hydroxylated nebivolol metabolites increase NO release from human endothelial cell preparations in a concentration dependent fashion following acute administration. In addition, hydroxylated nebivolol metabolites, including but not limited to 4-hydroxy-6,6′difluoro-, 4-hydroxy-5-phenol-6,6′difluoro-, and 4-hydroxy-8-pheno-6,6′difluoro-, have the ability to increase the capacity for NO release in human endothelial cells following chronic administration. This invention provides hydroxylated nebivolol metabolites and compositions comprising nebivolol and/or at least one hydroxylated metabolite of nebivolol and/or at least one additional compound used to treat cardiovascular diseases or a pharmaceutically acceptable salt thereof. In addition, this invention provides methods of treating and/or preventing vascular diseases by administering at least one hydroxylated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one hydroxylated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  羟基化奈必洛尔代谢物在急性给药后以浓度依赖性方式增加人内皮细胞制剂的一氧化氮释放。此外，羟基化奈必洛尔代谢物，包括但不限于4-羟基-6,6'-二氟代-、4-羟基-5-苯酚-6,6'-二氟代-和4-羟基-8-苯并-6,6'-二氟代-，在慢性给药后能够增加人内皮细胞的一氧化氮释放能力。本发明提供了羟基化奈必洛尔代谢物和包含奈必洛尔和/或至少一种羟基化奈必洛尔代谢物和/或至少一种用于治疗心血管疾病的附加化合物的组合物，以及可药用的盐。此外，本发明还提供了通过给药至少一种能够释放治疗有效量的一氧化氮到受血管疾病影响的靶向部位的羟基化奈必洛尔代谢物来治疗和/或预防血管疾病的方法。本发明还涉及通过给药至少一种羟基化奈必洛尔代谢物来治疗和/或预防偏头痛。本发明还可以与治疗代谢综合征障碍的其他治疗联合使用，或作为单一治疗。
• [EN] HYBRID NECROPTOSIS INHIBITORS<br/>[FR] INHIBITEURS HYBRIDES DE LA NÉCROPTOSE
  申请人：HARVARD COLLEGE

  公开号：WO2014145022A1

  公开（公告）日：2014-09-18

  The present invention relates to heterocyclic compounds (e.g., compounds described by Formula (I)) and pharmaceutically acceptable salts thereof. The invention also features pharmaceutical compositions that include these compounds and their use in therapy for treating conditions in which necroptosis is likely to play a substantial role. The heterocyclic compounds described herein can also achieve improved activity and selectivity towards RIP1 and/or RIP3.

  本发明涉及杂环化合物（例如，由式（I）描述的化合物）及其药学上可接受的盐。该发明还涉及包括这些化合物的药物组合物，以及它们在治疗可能出现大量坏死相关凋亡的疾病中的用途。本文描述的杂环化合物还可以实现对RIP1和/或RIP3的改进活性和选择性。
• Carbazole-Containing Sulfonamides as Cryptochrome Modulators
  申请人：Reset Therapeutics, Inc.

  公开号：US20130303524A1

  公开（公告）日：2013-11-14

  The subject matter herein is directed to carbazole-containing sulfonamide derivatives and pharmaceutically acceptable salts or hydrates thereof of structural formula I wherein the variable R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , A, B, C, D, E, F, G, H, a, and b are accordingly described. Also provided are pharmaceutical compositions comprising the compounds of formula I to treat a Cry-mediated disease or disorder, such as diabetes, obesity, metabolic syndrome, Cushing's syndrome, and glaucoma.

  本文涉及含有咔唑基磺胺衍生物及其药用可接受盐或水合物的结构式I，其中变量R1、R2、R3、R4、R5、R6、R7、A、B、C、D、E、F、G、H、a和b分别描述。还提供了包含式I化合物的药物组合物，用于治疗Cry介导的疾病或紊乱，如糖尿病、肥胖症、代谢综合征、库欣综合征和青光眼。
• CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS
  申请人：ReSet Therapeutics, Inc.

  公开号：US20150284362A1

  公开（公告）日：2015-10-08

  The subject matter herein is directed to carbazole-containing amide, carbamate, and urea derivatives and pharmaceutically acceptable salts or hydrates thereof of structural formula I wherein the variable R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , A, D, E, G, J, L, M, Q, a, and b are accordingly described. Also provided are pharmaceutical compositions containing the compounds of formula I to treat a Cry-mediated disease or disorder, such as diabetes, complications associated with diabetes, Cushing's syndrome, NASH, NAFLD, asthma, and COPD.

  本文涉及含有咔唑基的酰胺、碳酸酯和脲衍生物，以及其结构式I中的药用可接受盐或水合物，其中变量R1、R2、R3、R4、R5、R6、R7、A、D、E、G、J、L、M、Q、a和b分别描述。还提供了含有式I化合物的药物组合物，用于治疗Cry介导的疾病或紊乱，如糖尿病、与糖尿病相关的并发症、库欣综合征、NASH、NAFLD、哮喘和COPD。
• MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS
  申请人：Oertel Kai

  公开号：US20110229568A1

  公开（公告）日：2011-09-22

  Described herein are peptide derivatives and peptidomimetics as inhibitors for transglutaminases, methods for their preparation, pharmaceutical compositions containing said compounds as well as uses of said transglutaminase inhibitors in particular for the treatment of coeliac disease and transglutaminase dependent diseases.

  本文描述了肽衍生物和肽拟态物作为转麦芽胺酶的抑制剂，以及它们的制备方法、含有这些化合物的药物组合物，以及特别用于治疗乳糜热和依赖于转麦芽胺酶的疾病的转麦芽胺酶抑制剂的用途。