4-phenylmethyl-2-piperidinone | 179683-98-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-phenylmethyl-2-piperidinone
• 英文别名: 4-benzyl-l-piperidone；4-benzylpiperidone；4-Benzyl-2-piperidone；4-Benzylpiperidin-2-one
• CAS: 179683-98-8
• 化学式: C₁₂H₁₅NO
• mdl: MFCD01631136
• 分子量: 189.257
• InChiKey: BIFDJPLEABLCKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-phenylmethyl-2-piperidinone 、 (3-fluorobenzyl)triphenylphosphonium bromide 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 1-benzyl-4-(3-fluorobenzylidene)piperidine
  参考文献：
  名称：

  Subtype-selective NMDA receptor ligands and the use thereof

  摘要：

  该发明涉及亚型选择性NMDA受体配体及其用于治疗或预防与中风、缺血、中枢神经系统创伤、低血糖和手术相关的神经元丢失，以及治疗包括阿尔茨海默病、肌萎缩性侧索硬化、亨廷顿病和唐氏综合征在内的神经退行性疾病，治疗或预防兴奋性氨基酸过度刺激的不良后果，治疗焦虑、精神病、抽搐、氨基糖苷类抗生素引起的听力损失、偏头痛、慢性疼痛、帕金森病、青光眼、巨细胞病毒性视网膜炎、尿失禁、阿片类药物耐受性或戒断症状，并诱导麻醉，以及增强认知能力。

  公开号：

  US06218404B1

文献信息

• Benzopyran derivatives and pharmaceutical compositions containing them
  申请人：Rhone-Poulenc Sante

  公开号：US04977166A1

  公开（公告）日：1990-12-11

  New benzopyran derivatives of formula: ##STR1## in which R.sub.1 is hydrogen, halogen, hydroxy, alkoxy, nitro, amino, alkylsulphonamido, bis(alkylsulphonyl) amino or acylamino, X is nitrogen or a >CH-radical R is a radical of formula: ##STR2## in which A denotes a single bond or methylene or, when X is nitrogen, A may denote carbonyl, and R.sub.2 and R.sub.3, which are identical or different, are hydrogen, halogen, hydroxy, alkyl, alkoxy, nitro, amino, alkylsulphonamido, bis(alkylsulphonyl)amino, acylamino, sulphamoyl or cyano, or, when they are adjacent, together form a methylenedioxy or ethylenedioxy radical, or else R is pyridyl or 2(2H)-benzimidazolonyl if X denotes >CH--, and R' and R" are identical and are hydrogen or alkyl, their isomeric forms and mixtures thereof, and their acid addition salts, can be used as antiarrhythmic and antifibrillation agents.

  新的苯并吡喃衍生物的化学式为：##STR1## 其中 R.sub.1 是氢、卤素、羟基、烷氧基、硝基、氨基、烷基磺酰胺基、双(烷基磺酰基)氨基或酰胺基，X 是氮或一个 >CH-基团，R 是一个化学式的基团：##STR2## 其中 A 表示一个单键或亚甲基，或者当 X 是氮时，A 可表示羰基，R.sub.2 和 R.sub.3，它们相同或不同，是氢、卤素、羟基、烷基、烷氧基、硝基、氨基、烷基磺酰胺基、双(烷基磺酰基)氨基、酰胺基、磺酰胺基或氰基，或者当它们相邻时，一起形成一个亚甲二氧基或乙烯二氧基基团，或者 R 是吡啶基或 2(2H)-苯并咪唑基，如果 X 表示 >CH--，而 R' 和 R" 相同且是氢或烷基，它们的异构体形式和混合物，以及它们的酸盐加合物，可用作抗心律失常和抗纤颤剂。
• Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors
  申请人：Bosch Michael

  公开号：US20080269170A1

  公开（公告）日：2008-10-30

  The disclosure relates to compounds of formula (I): wherein R1-R5, A and Y are as defined in the disclosure, to compositions comprising said compounds, and to processes for making and methods of using the same.

  该披露涉及到式(I)的化合物：其中R1-R5、A和Y如披露中所定义，以及包含该化合物的组合物，以及制备该化合物的方法和使用该化合物的方法。
• Indole-type inhibitors of p38 kinase
  申请人：——

  公开号：US20030100588A1

  公开（公告）日：2003-05-29

  The invention is directed to inhibition of p38-a kinase using compounds of the formula 1 and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein Ar is an aryl group substituted with 0-5 non-interfering substituents, wherein two adjacent noninterfering substituents can form a fused aromatic or nonaromatic ring; L 1 and L 2 are linkers; X is an aliphatic monocyclic or aliphatic polycyclic moiety optionally comprising one or more hetero ring atoms wherein the cyclic moiety may be optionally substituted with one or more noninterfering substituents and where said optional substituents may constitute a ring fused to X; n is 0-3; each R 1 is hydrogen or a noninterfering substituent; 2 represents a single or double bond; one Z 2 is CA or CR 2 A; the other Z 2 is CR 3 , CR 3 2 , NR 4 or N; and each R 2 , R 3 and R 4 is independently hydrogen or a noninterfering substituent; Z 3 is NR 5 or O; where R 5 is hydrogen or a noninterfering substituent; A is —W i —COX j Y, where Y is COR 6 or an isostere thereof, each of W and X is a spacer of 2-6 Å; each of i and j is independently 0 or 1; and R 6 is a noninterfering substituent; and wherein the smallest number of covalent bonds in the compound separating the atom of Ar linked to L 2 and the atom of the &agr; ring linked to L 1 is at least 5, each said bond having a bond length of 1.2 to 2.0 angstroms; and/or the distance in space between the atom of Ar linked to L 2 and the atom of the &agr; ring linked to L 1 is 4.5-24 angstroms; and with the proviso that the portion of the compound represented by L 2 —X—L 1 is not: 3 where L 2 and L 1 are linkers; Z 1 is CR or N wherein R is hydrogen or a non-interfering substituent; each R 1 is independently a non-interfering substituent; and each of l and k is 0-3; and m is 0-4.

  该发明涉及使用式1中的化合物及其药学上可接受的盐来抑制p38-a激酶，或者其药物组合物，其中Ar是带有0-5个非干扰取代基的芳基，其中两个相邻的非干扰取代基可以形成融合的芳香环或非芳香环；L1和L2是连接物；X是一种脂肪单环或脂肪多环基团，可选地包含一个或多个杂环原子，其中环基团可以选择地被一个或多个非干扰取代基取代，这些可选取代基可以构成与X融合的环；n为0-3；每个R1是氢或一个非干扰取代基；2表示单键或双键；一个Z2是CA或CR2A；另一个Z2是CR3、CR32、NR4或N；每个R2、R3和R4独立地是氢或一个非干扰取代基；Z3是NR5或O；其中R5是氢或非干扰取代基；A是—Wi—COXjY，其中Y是COR6或其同分异构体，W和X各自是2-6埃的间隔；i和j各自独立地为0或1；R6是一个非干扰取代基；并且化合物中连接到L2的Ar原子与连接到L1的α环原子之间的共价键的最小数量至少为5，每个所述键的键长为1.2到2.0埃；和/或连接到L2的Ar原子与连接到L1的α环原子之间的空间距离为4.5-24埃；但化合物中由L2—X—L1表示的部分不是：3，其中L2和L1是连接物；Z1是CR或N，其中R是氢或非干扰取代基；每个R1独立地是一个非干扰取代基；l和k分别为0-3；m为0-4。
• Thiazolo-pyrimidine/pyridine urea derivatives
  申请人：Brinkman John A.

  公开号：US20070270433A1

  公开（公告）日：2007-11-22

  There are presented compounds of the formula or a pharmaceutically acceptable salt thereof, which are active adenosine A2B receptor antagonists and useful in the treatment of diabetes, diabetic retinopathy, asthma and diarrhea.

  提供了该化合物的公式或其药用可接受的盐，这些化合物是活性腺苷A2B受体拮抗剂，可用于治疗糖尿病、糖尿病视网膜病变、哮喘和腹泻。
• REMEDIES FOR PAIN
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1142587A1

  公开（公告）日：2001-10-10

  The present invention provides a pain control agent, which contains, as an active ingredient, a compound having both µ opioid receptor agonist activity and dopamine D2 receptor antagonist activity. The compound having both of these activities exerts a potent morphine-like analgetic effect and causes no psychological dependence, and even regulates side effects. In particular, a novel compound represented by general formula (I) or a pharmacologically acceptable salt thereof has both µ opioid receptor agonist activity and dopamine D2 receptor antagonist activity, and is useful as pain control agent with regulated side effects.

  本发明提供了一种疼痛控制剂，其包含作为活性成分的化合物具有µ阿片受体激动剂活性和多巴胺D2受体拮抗剂活性。具有这两种活性的化合物具有强效的类鸦片样镇痛作用，并不会导致心理依赖，甚至可以调节副作用。特别是，由通式（I）表示的新化合物或其药理学可接受的盐具有µ阿片受体激动剂活性和多巴胺D2受体拮抗剂活性，并且作为具有调节副作用的疼痛控制剂是有用的。