3-甲基哌啶-4-酮盐酸盐 | 4629-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-甲基哌啶-4-酮盐酸盐
• 中文别名: 3-甲基-4-哌啶酮盐酸盐
• 英文名称: 3-methylpiperidin-4-one hydrochloride
• 英文别名: 3-methylpiperidine-4-one hydrochloride；3-methylpiperidin-4-one;hydrochloride
• CAS: 4629-78-1
• 化学式: C₆H₁₁NO*ClH
• mdl: MFCD07369967
• 分子量: 149.62
• InChiKey: GCQBLKABRBKHLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.33
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  29.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-甲基哌啶-4-酮盐酸盐 在 盐酸 、 sodium hydroxide 、 sodium tetrahydroborate 作用下， 反应 28.5h， 生成 1-(4-hydroxy-3-methylpiperidino)cyclohexanecarbonitrile
  参考文献：
  名称：

  The search for TCP analogues binding to the low affinity PCP receptor sites in the rat cerebellum

  摘要：

  With the aim of obtaining selective ligands of the low affinity binding sites of [H-3]-1-[1-(2-thienyl) cyclohexyl] piperidine ([H-3]TCP) in the rat cerebellum, oxygen and sulfur atoms were introduced in the TCP structure and derivatives to obtain analogues with a lowered lipophilicity. These compounds, and others already obtained, were assayed comparatively to determine their affinities for three sites labeled with [H-3]TCP: one in the forebrain, the originally described PCP receptor, and two in the rat cerebellum. Lowering the Lipophilicity and modifying the hetero-aromatic moiety yielded some Ligands with increased affinity for the low affinity sites in the rat cerebellum and decreased affinity for the high affinity sites in the forebrain. Particularly, two compounds displaying both a high affinity and a good selectivity might be valuable tools to elucidate the pharmacology of the low affinity PCP sites labeled with [H-3]TCP in the rat cerebellum. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80046-4
• 作为产物：
  描述：

  ethyl 1-benzoyl-4-oxo-3-piperidinecarboxylate 在 盐酸 、 sodium hydride 作用下， 以 乙二醇二甲醚 为溶剂， 反应 112.0h， 生成 3-甲基哌啶-4-酮盐酸盐
  参考文献：
  名称：

  The search for TCP analogues binding to the low affinity PCP receptor sites in the rat cerebellum

  摘要：

  With the aim of obtaining selective ligands of the low affinity binding sites of [H-3]-1-[1-(2-thienyl) cyclohexyl] piperidine ([H-3]TCP) in the rat cerebellum, oxygen and sulfur atoms were introduced in the TCP structure and derivatives to obtain analogues with a lowered lipophilicity. These compounds, and others already obtained, were assayed comparatively to determine their affinities for three sites labeled with [H-3]TCP: one in the forebrain, the originally described PCP receptor, and two in the rat cerebellum. Lowering the Lipophilicity and modifying the hetero-aromatic moiety yielded some Ligands with increased affinity for the low affinity sites in the rat cerebellum and decreased affinity for the high affinity sites in the forebrain. Particularly, two compounds displaying both a high affinity and a good selectivity might be valuable tools to elucidate the pharmacology of the low affinity PCP sites labeled with [H-3]TCP in the rat cerebellum. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80046-4

文献信息

• [EN] TRPV4 ANTAGONISTS<br/>[FR] ANTAGONISTES DE TRPV4
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011119701A1

  公开（公告）日：2011-09-29

  The present invention relates to quinoline analogs, pharmaceutical compositions containing them and their use as TRPV4 antagonists.

  本发明涉及喹啉类似物、含有它们的药物组合物以及它们作为TRPV4拮抗剂的用途。
• Pyrrolopyrazinyl Urea Kinase Inhibitors
  申请人：Bamberg Joe Timothy

  公开号：US20100144745A1

  公开（公告）日：2010-06-10

  The present invention relates to the use of novel pyrrolopyrazinyl urea derivatives of Formula I, wherein the variables R 1 , R 2 , R 3 , R 4 , and R 5 are defined as described herein, which inhibit JAK and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及使用式I的新型吡咯吡嗪基脲衍生物，其中变量R1、R2、R3、R4和R5如本文所述定义，这些衍生物抑制JAK并可用于治疗自身免疫和炎症性疾病。
• FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES
  申请人：Galapagos N.V.

  公开号：EP3782997A1

  公开（公告）日：2021-02-24

  The present invention discloses compounds according to Formula I: Wherein A, B, R1, R2, and Cy are as defined herein. The present invention relates to compounds inhibiting autotaxin (NPP2 or ENPP2), methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of fibrotic diseases, proliferative diseases, inflammatory diseases, autoimmune diseases, respiratory diseases, cardiovascular diseases, neurodegenerative diseases, dermatological disorders, pain, and/or abnormal angiogenesis associated diseases by administering the compounds of the invention.

  本发明公开了根据式I的化合物：其中A、B、R1、R2和Cy如本文所定义。本发明涉及抑制自体脂肪酶（NPP2或ENPP2）的化合物，其生产方法，包含其的药物组合物，以及使用该化合物进行预防和/或治疗纤维化疾病、增生性疾病、炎症性疾病、自身免疫疾病、呼吸系统疾病、心血管疾病、神经退行性疾病、皮肤疾病、疼痛和/或异常血管生成相关疾病的方法。
• 一类取代的吲哚脲衍生物、合成方法及其用途
  申请人：中国科学院上海药物研究所

  公开号：CN113248491B

  公开（公告）日：2022-02-25

  本发明公开了一类取代的吲哚脲衍生物、合成方法及其用途，结构如式I所示，式中，各取代基的定义如说明书中所述。本发明的化合物，能够用作cGAS‑STING通路靶向抑制剂，用于炎症性疾病和自身免疫性疾病的治疗。
• N-(benzhydryloxyalkyl)-4-(carboxy/carbamoyl methyl)-piperidine
  申请人：Cooperation Pharmaceutique Francaise

  公开号：US05846980A1

  公开（公告）日：1998-12-08

  The invention relates to substituted nitrogenous heterocycles derivatives of general formula (I) ##STR1## in the racemic or optically pure form and/or in the form of cis/trans isomers, their pharmaceutically acceptable salts, and their use for preparing drugs having psychrotropic activity, especially antidepressant activity.

  本发明涉及通式（I）的取代氮杂环衍生物，其为外消旋或光学纯形式和/或顺反异构体形式，其药学上可接受的盐，并用于制备具有心理活性，特别是抗抑郁活性的药物。