4-(4-乙基环己基)-4-甲基戊烷-2-酮 | 89541-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4-乙基环己基)-4-甲基戊烷-2-酮
• 中文别名: N-[4-(5-羟基-2-吡嗪基)苯基]乙酰胺
• 英文名称: 5-(4-acetamidophenyl)-2(1H)-pyrazinone
• 英文别名: N-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]acetamide
• CAS: 89541-55-9
• 化学式: C₁₂H₁₁N₃O₂
• 分子量: 229.23
• InChiKey: HKRDYSUZYCDGCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  70.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-(4-Aminophenyl)-2(1H)-pyrazinone hydrobromide 、 乙酸酐 、 sodium acetate 在 crude product 、 水 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 1.0h， 以to give 5-(4-acetamidophenyl)-2(1H)-pyrazinone (0.84 g; m.p. 287°-8° C.)的产率得到4-(4-乙基环己基)-4-甲基戊烷-2-酮
  参考文献：
  名称：

  5-(4-Amino or acylaminophenyl)-2(1H)-pyrazinones having inotropic

  摘要：

  本发明涉及在苯环的4位上被氨基或酰胺基取代的5-(苯基)-2(1H)-吡嗪酮。这些化合物具有肌力作用。其中一种特定化合物是5-(4-乙酰胺基苯基)-2(1H)-吡嗪酮。

  公开号：

  US04556711A1

文献信息

• Heterocyclic compounds having inotropic activity
  申请人：Smith Kline & French Laboratories Ltd.

  公开号：US04657906A1

  公开（公告）日：1987-04-14

  This invention relates to 5-(phenyl)-2(1H)-pyrazinones substituted in the 4-position of the phenyl ring by an amino or acylamino group. These compounds has inotropic activity. One specific compound is 5-(4-acetamidophenyl)-2(1H)-pyrazinone.

  本发明涉及在苯环的4位被氨基或酰胺基取代的5-(苯基)-2(1H)-吡嗪酮。这些化合物具有肌力作用。其中一种特定的化合物是5-(4-乙酰胺基苯基)-2(1H)-吡嗪酮。
• Aryl pyrazinones
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0096517A2

  公开（公告）日：1983-12-21

  Pyrazinone derivatives of the formula (I): or a pharmaceutically acceptable salt thereof, wherein R', R2 and R3 are independently hydrogen or C1-4 alkyl, and R4 is hydrogen, a C1-6 alkoxycarbonyl group optionally substituted by amino, hydroxy, C1-4 alkoxy or carboxy (wherein the substituent is not on the carbon atom adjacent to the -CO-O moiety); or R4 is a group -CO-(NR5)n-R6 wherein n is zero or one, R6 is hydrogen, optionally substituted C1-6 alkyl, optionally substituted phenyl, or optionally substituted pyridyl, and R5 is hydrogen, C1-6 alkyl or RS and R6 form together with the nitrogen atom to which they are attached to piperidine, morpholino, piperazine or N-/C1-6)- alkylpiperazine ring; are described. Processes for their preparation are described, involving inter alia novel phenyl pyrazinone intermediates. Their use in pharmaceutical compositions is described, as is their use as inotropic agents.

  式 (I) 的吡嗪酮衍生物： 或其药学上可接受的盐，其中 R'、R2 和 R3 独立地为氢或 C1-4 烷基，R4 为氢、任选被氨基、羟基、C1-4 烷氧基或羧基取代的 C1-6 烷氧基羰基（其中取代基不在与 -CO-O 分子相邻的碳原子上）；或 R4 是基团 -CO-(NR5)n-R6，其中 n 为 0 或 1，R6 为氢、任选取代的 C1-6 烷基、任选取代的苯基或任选取代的吡啶基，R5 为氢、C1-6 烷基或 RS 和 R6 与它们所连接的氮原子一起形成哌啶、吗啉、哌嗪或 N-/C1-6)-烷基哌嗪环。 描述了它们的制备过程，其中包括新型苯基吡嗪酮中间体。介绍了它们在药物组合物中的用途，以及它们作为肌张力剂的用途。
• CYCLIC NUCLEOTIDASE AND PROCESS FOR PRODUCING THE SAME
  申请人：TAISHO PHARMACEUTICAL CO. LTD

  公开号：EP0682109A1

  公开（公告）日：1995-11-15

  A novel cyclic nucleotidase which is of a type different from that of the known isozyme family is isolated from rat's brain in pure form. It has physicochemical properties such that (1) it acts upon cAMP to form 5'-AMP and upon cGMP to form 5'-GMP; (2) in terms of substrate specificity, it has a Km value of 0.11 µM against cAMP and a Km value of 1.78 µM against cGMP; and (3) it has a molecular weight of about 298,000.

  从纯大鼠脑中分离出一种新型环核苷酸酶，其类型不同于已知同工酶家族。它的理化特性是：(1) 它作用于 cAMP 形成 5'-AMP 和作用于 cGMP 形成 5'-GMP；(2) 就底物特异性而言，它对 cAMP 的 Km 值为 0.11 µM，对 cGMP 的 Km 值为 1.78 µM；(3) 它的分子量约为 298,000。
• Methods, compositions, and kits for the treatment of ophthalmic disorders
  申请人：CombinatoRx, Inc.

  公开号：EP2218442A1

  公开（公告）日：2010-08-18

  The invention features methods, compositions and kits comprising a corticosteroid and a non-steroidal immunophilin-dependent immunosuppressant for treating an ophthalmic disorder in a patient, wherein at least one of said corticosteroid and said non-steroidal immunophilin-dependent immunosuppressant is present at a low concentration, in particular wherein said corticosteroid is prednisolone acetate and said non-steroidal immunophilin-dependent immunosuppressant is cyclosporine A.

  本发明的特征是包含皮质类固醇和非类固醇免疫嗜血素依赖性免疫抑制剂的方法、组合物和试剂盒，用于治疗患者的眼科疾病、其中，所述皮质类固醇和所述非类固醇免疫嗜血素依赖性免疫抑制剂中至少有一种以低浓度存在，特别是所述皮质类固醇为醋酸泼尼松龙，所述非类固醇免疫嗜血素依赖性免疫抑制剂为环孢素 A。
• Treatment of dyspareunia with topically administered nitroglycerin formulations
  申请人：——

  公开号：US20040044080A1

  公开（公告）日：2004-03-04

  Methods and formulations for treating dyspareunia are provided. A pharmaceutical composition formulated so as to contain a therapeutically effective amount of nitroglycerin is administered to the vagina or vulvar area of the individual undergoing treatment. Preferred formulations are immediate release formulations in which at least 80% of the nitroglycerin in the formulation is released therefrom within 4 hours following administration. The formulations may contain one or more additional active agents, e.g., agents that are also useful to treat dyspareunia and/or potentiate the action of nitroglycerin. Such additional agents include vasoactive agents such as prostaglandins, phosphodiesterase inhibitors, androgens such as testosterone, estrogens such as estradiol, and selective modulators of estrogen and androgen receptors. A kit for a patient to use in the self-administration of the formulation is also provided.

  本研究提供了治疗性交困难的方法和制剂。将配制成含有治疗有效量硝化甘油的药物组合物施用到接受治疗者的阴道或外阴部位。首选的制剂是速释制剂，其中制剂中至少 80% 的硝酸甘油在给药后 4 小时内从制剂中释放出来。制剂可含有一种或多种额外的活性剂，例如，也可用于治疗性交困难和/或增强硝酸甘油作用的制剂。此类附加制剂包括血管活性剂，如前列腺素、磷酸二酯酶抑制剂、雄激素，如睾酮、雌激素，如雌二醇，以及雌激素和雄激素受体的选择性调节剂。此外，还提供了一种供患者用于自行服用制剂的试剂盒。