(1-嘧啶-2-基哌啶-4-基)甲胺 | 158958-53-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (1-嘧啶-2-基哌啶-4-基)甲胺
• 英文名称: 4-(aminomethyl)-1-(2-pyrimidinyl)piperidine
• 英文别名: (1-(pyrimidin-2-yl)piperidin-4-yl)methanamine；[1-(Pyrimidin-2-yl)piperidin-4-yl]methanamine；(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
• CAS: 158958-53-3
• 化学式: C₁₀H₁₆N₄
• mdl: MFCD07365339
• 分子量: 192.264
• InChiKey: ZADAPLCYCBLHPU-UHFFFAOYSA-N

物化性质

• 沸点：
  358.6±34.0 °C(Predicted)
• 密度：
  1.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1-嘧啶-2-基哌啶-4-基)甲胺 在 甲酸 、 sodium formate 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 176.0h， 生成 (S)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methyl-1-[1-(2-pyrimidinyl)-4-piperidyl]methylamine
  参考文献：
  名称：

  N-Substituted (2,3-Dihydro-1,4-benzodioxin-2-yl)methylamine Derivatives as D₂ Antagonists/5-HT_1A Partial Agonists with Potential as Atypical Antipsychotic Agents

  摘要：

  A series of N-substituted 1-(2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives with D-2 antagonist/5-HT1A partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to compound 24, which showed good affinities for human D-2, D-3, and 5-HT1A receptors but significantly less affinity for human alpha(1) adrenoceptors and rat H-1 and muscarinic receptors. In rodents, 24 showed functional D-2-like antagonism and 5-HT1A partial agonism. After oral dosing, 24 showed good activity in rodent antipsychotic tests and very little potential to cause extrapyramidal side effects (EPS), as measured by its ability to induce catalepsy in rats only at very high doses. In the light of this promising profile of activity, 24 has been selected for clinical investigation as a novel antipsychotic agent with a predicted low propensity to cause EPS.

  DOI：

  10.1021/jm9910122
• 作为产物：
  描述：

  4-氨甲基哌啶 在 盐酸 、 对甲苯磺酸 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 29.0h， 生成 (1-嘧啶-2-基哌啶-4-基)甲胺
  参考文献：
  名称：

  N-Substituted (2,3-Dihydro-1,4-benzodioxin-2-yl)methylamine Derivatives as D₂ Antagonists/5-HT_1A Partial Agonists with Potential as Atypical Antipsychotic Agents

  摘要：

  A series of N-substituted 1-(2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives with D-2 antagonist/5-HT1A partial agonist activity has been prepared as potential atypical antipsychotic agents. Optimization of in vitro receptor binding activity and in vivo activity in rodent models of psychosis has led to compound 24, which showed good affinities for human D-2, D-3, and 5-HT1A receptors but significantly less affinity for human alpha(1) adrenoceptors and rat H-1 and muscarinic receptors. In rodents, 24 showed functional D-2-like antagonism and 5-HT1A partial agonism. After oral dosing, 24 showed good activity in rodent antipsychotic tests and very little potential to cause extrapyramidal side effects (EPS), as measured by its ability to induce catalepsy in rats only at very high doses. In the light of this promising profile of activity, 24 has been selected for clinical investigation as a novel antipsychotic agent with a predicted low propensity to cause EPS.

  DOI：

  10.1021/jm9910122

文献信息

• [EN] NOVEL COMPOUNDS FOR USE IN CANCER<br/>[FR] NOUVEAUX COMPOSÉS DESTINÉS À ÊTRE UTILISÉS POUR LE CANCER
  申请人：FUNDACION PARA LA INVESTIG MEDICA APLICADA

  公开号：WO2018229139A1

  公开（公告）日：2018-12-20

  It relates to the compounds of formula (I), or their pharmaceutically or veterinary acceptable salts, or their stereoisomers or mixtures of stereoisomers, wherein X, L,R1, R 2, and R 3 are as defined herein, which are cancer cell differentiation inducing agents. It also relates to pharmaceutical or veterinary compositions containing them, and to their use in medicine, in particular in the treatment and/or prevention of cancer, in particular by cell differentiation therapy.

  本发明涉及式(I)的化合物，或其药物或兽药可接受的盐，或其立体异构体或立体异构体混合物，其中X、L、R1、R2和R3如本文所述定义，它们是癌细胞分化诱导剂。本发明还涉及含有它们的药物或兽药组合物，以及它们在医学中的应用，特别是在通过细胞分化疗法治疗和/或预防癌症中的应用。
• Inhibitors of c-Jun N-terminal kinases
  申请人：Liu Gang

  公开号：US20060173050A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds that are inhibitors of c-jun N-terminal kinase 1, 2, or 3 (JNK1, JNK2, or JNK3), compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by the activation of JNK1, JNK2 and JNK3.

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。
• A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters
  作者：Petar O. Nikiforov、Sachin Surade、Michal Blaszczyk、Vincent Delorme、Priscille Brodin、Alain R. Baulard、Tom L. Blundell、Chris Abell

  DOI：10.1039/c5ob02630j

  日期：——

  instances of resistance to frontline TB drugs there is the need to develop novel strategies to fight the worldwide TB epidemic. Boosting the effect of the existing second-line antibiotic ethionamide by inhibiting the mycobacterial transcriptional repressor protein EthR is an attractive therapeutic strategy. Herein we report the use of a fragment based drug discovery approach for the structure-guided systematic

  随着对一线结核病药物耐药性的不断增加，需要制定新的战略来对抗全球结核病流行。通过抑制分枝杆菌转录抑制蛋白 EthR 来增强现有二线抗生素乙硫异烟胺的作用是一种有吸引力的治疗策略。在这里，我们报告了使用基于片段的药物发现方法来进行结构引导的两个片段分子的系统合并，每个片段分子与结核分枝杆菌的 EthR 疏水腔结合两次。这些一起填满了 EthR 的整个绑定口袋。我们详细阐述了这些片段命中并开发了小分子抑制剂，其在体外的效力比初始片段提高了 100 倍。
• [EN] BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS<br/>[FR] COMPOSES BICYCLIQUES AROMATIQUES UTILISES COMME AGENTS THERAPEUTIQUES
  申请人：KNOLL AG

  公开号：WO1995007274A1

  公开（公告）日：1995-03-16

  (EN) Compounds of formula (I) and pharmaceutically acceptable salts thereof in which A is methylene or -O-; B is methylene or -O-; and g is 0, 1, 2, 3 or 4; U is an alkylene chain optionally substitued by one or more alkyl; Q represents a divalent group containing nitrogen atoms; having utility in the treatment of central nervous system disorders, for example depression, anxiety, psychoses (for example schizophrenia), tardive dyskinesia, Parkinson's disease, obesity, hypertension, Tourette's syndrome, sexual dysfunction, drug addiction, drug abuse, cognitive disorders, Alzheimer's disease, senile dementia, obsessive-compulsive behaviour, panic attacks, eating disorders and anorexia, cardiovascular and cerebrovascular disorders, non-insulin dependent diabetes mellitus, hyperglycaemia, constipation, arrhythmia, disorders of the neuroendocrine system, stress, prostatic hypertrophy, and spasticity.(FR) Composés de la formule (I) et sels pharmaceutiquement acceptables de ces composés; formule dans laquelle A représente méthylène ou -O-; B représente méthylène ou -O-; et g vaut 0, 1, 2, 3, ou 4; U représente une chaîne alkylène éventuellement substituée par au moins un alkyle; et Q représente un groupe bivalent contenant des atomes d'azote. Ces composés conviennent au traitement de troubles du système nerveux central, tels que la dépression, l'anxiété, les psychoses (la schizophrénie, notamment), la dyskinésie tardive, la maladie de Parkinson, l'obésité, l'hypertension, le syndrome de Tourette, le dysfonctionnement sexuel, la toxicomanie, l'abus des drogues, les troubles cognitifs, la maladie d'Alzheimer, la démence sénile, les névroses obsessionnelles, les crises de panique, les troubles alimentaires et l'anorexie, les affections cardiovasculaires et cérébrovasculaires, le diabète sucré non insulino-dépendant, l'hyperglycémie, la constipation, l'arythmie cardiaque, les troubles du système endocrinien, le stress, l'hypertrophie prostatique et la spasmodicité.

  化合物的化学式为(I)，其药物可接受的盐包括：其中A为亚甲基或-O-；B为亚甲基或-O-；g为0、1、2、3或4；U为一种可以被一个或多个烷基取代的烷基链；Q代表含有氮原子的二价基团。这些化合物适用于治疗中枢神经系统疾病，例如抑郁症、焦虑症、精神病（例如精神分裂症）、迟发性运动障碍、帕金森病、肥胖症、高血压、杜雷特综合征、性功能障碍、药物成瘾、药物滥用、认知障碍、阿尔茨海默病、老年性痴呆、强迫症、惊恐发作、进食障碍和厌食症、心血管和脑血管疾病、非胰岛素依赖型糖尿病、高血糖、便秘、心律失常、神经内分泌系统疾病、压力、前列腺肥大和痉挛症。
• BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS
  申请人：Knoll AG

  公开号：EP0717739A1

  公开（公告）日：1996-06-26