3-(哌啶-4-基)丙酸甲酯盐酸盐 | 167414-87-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-(哌啶-4-基)丙酸甲酯盐酸盐
• 中文别名: 甲基3-(哌啶-4-基)丙酯盐酸
• 英文名称: methyl 3-(piperidin-4-yl)propanoate hydrochloride
• 英文别名: methyl 3-(4-piperidyl)propanoate hydrochloride；methyl 3-(4-piperidinyl)propanoate hydrochloride；methyl 3-piperidin-4-yl-propionate hydrochloride；methyl 3-piperidin-4-ylpropanoate hydrochloride；methyl 3-piperidin-4-ylpropanoate;hydrochloride
• CAS: 167414-87-1
• 化学式: C₉H₁₇NO₂*ClH
• mdl: MFCD13193859
• 分子量: 207.7
• InChiKey: AZXUUZJIMVNVCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-(哌啶-4-基)丙酸甲酯盐酸盐 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-(1-Benzyl-piperidin-4-yl)-propan-1-ol
  参考文献：
  名称：

  Synthesis, Biological Evaluation, and Molecular Modeling of Donepezil and N-[(5-(Benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine Hybrids as New Multipotent Cholinesterase/Monoamine Oxidase Inhibitors for the Treatment of Alzheimer’s Disease

  摘要：

  A new family of multitarget molecules able to interact with acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE), as well as with monoamino oxidase (MAO) A and B, has been synthesized. Novel compounds (3-9) have been designed using a conjunctive approach that combines the benzylpiperidine moiety of the AChE inhibitor donepezil (1) and the indolyl propargylamino moiety of the MAO inhibitor N-[(5-benzyloxy-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine (2), connected through an oligomethylene linker. The most promising hybrid (5) is a potent inhibitor of both MAO-A (IC50 = 5.2 +/- 1.1 nM) and MAO-B (IC50 = 43 +/- 8.0 nM) and is a moderately potent inhibitor of AChE (IC50 = 0.35 +/- 0.01 mu M) and BuChE (IC50 = 0.46 +/- 0.06 mu M). Moreover, molecular modeling and kinetic studies support the dual binding site to AChE, which explains the inhibitory effect exerted on A beta aggregation. Overall, the results suggest that the new compounds are promising multitarget drug candidates with potential impact for Alzheimer's disease therapy.

  DOI：

  10.1021/jm200853t
• 作为产物：
  描述：

  (E)-methyl 3-(1-methyl-1,2,3,6-tetrahydropyrid-4-yl)-propenoate 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 甲醇 、 水 、 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 3-(哌啶-4-基)丙酸甲酯盐酸盐
  参考文献：
  名称：

  部分GABAA受体激动剂。一系列4,5,6,7-四氢异恶唑并[5,4-c]吡啶-3-醇的非环状类似物的合成及体外药理作用。

  摘要：

  5-（4-哌啶基）异恶唑-3-醇（4-PIOL，10），4-氨基丁酸（GABA，1）和GABAA激动剂4,5,6,7-四氢异恶唑的结构类似物[5,4 -c] pyridin-3-ol（THIP，5）是低效的部分GABAA激动剂。从10种生物立体异构体衍生的许多化合物，包括5-（4-哌啶基）异噻唑-3-醇（11），3-（4-哌啶基）异噻唑-5-醇（12），5-（1,2,3合成了1,6-四氢吡啶-4-基）异噻唑-3-醇（13）和5-（1,2,3,6-四氢吡啶-4-基）异噻唑-3-醇（14） GABAA受体配体。尽管这些化合物均未显着影响GABAB受体的结合或GABA的吸收，但它们在低微摩尔范围内显示出对GABAA受体位点的亲和力。使用培养的大脑皮层神经元和全细胞膜片钳技术，这些化合物相对于完整GABAA激动剂的功效，测定了异胍卡因（8）（20 microM）。11的相对功效比10（IC50 =

  DOI：

  10.1021/jm00017a014

文献信息

• [EN] ANTHELMINTIC AGENTS AND THEIR USE<br/>[FR] AGENTS ANTHELMINTIQUES ET LEUR UTILISATION
  申请人：INTERVET INT BV

  公开号：WO2010115688A1

  公开（公告）日：2010-10-14

  This invention is directed to compounds and salts that are generally useful as anthelmintic agents or as intermediates in processes for making anthelmintic agents. This invention also is directed to processes for making the compounds and salts, pharmaceutical compositions and kits comprising the compounds and salts, uses of the compounds and salts to make medicaments, and treatments comprising the administration of the compounds and salts to animals in need of the treatments.

  这项发明涉及一般用作驱虫剂或作为制备驱虫剂的中间体的化合物和盐。这项发明还涉及制备这些化合物和盐的方法，包括这些化合物和盐的药物组合物和试剂盒，使用这些化合物和盐制备药物，以及将这些化合物和盐用于需要治疗的动物的治疗方法。
• Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors
  申请人：Goble D. Stephen

  公开号：US20070238723A1

  公开（公告）日：2007-10-11

  Cyclopentyl compounds linked to a benzoxazinyl group through an amido moiety utilizing the ring nitrogen of the benzoxazine, and further substituted with a heterocyclic moiety, such compounds represented by formula I: which are used to modulate the CCR-2 chemokine receptor to prevent or treat inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis; and pharmaceutical compositions comprising these compounds and the use of these compounds and compositions.

  环戊基化合物通过酰胺基团与苯并噁唑基团相连，利用苯并噁唑环的环氮原子，并进一步用杂环基团取代，这些化合物由式I表示： 用于调节CCR-2趋化因子受体，以预防或治疗炎症和免疫调节性疾病和疾病，过敏性疾病，包括过敏性鼻炎，皮炎，结膜炎和哮喘，以及类风湿性关节炎和动脉粥样硬化等自身免疫病理病变；以及包含这些化合物的药物组合物和这些化合物和组合物的使用。
• [EN] PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS<br/>[FR] COMPOSES DE PIPERIDINYLE LIANT SELECTIVEMENT LES INTEGRINES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004020435A1

  公开（公告）日：2004-03-11

  The invention is directed to piperidinyl compounds of formula (I) and (II) that selectively bind integrin receptors and methods for treating an integrin mediated disorder, wherein W, R2, Z and q are described in the application.

  这项发明涉及选择性结合整合素受体的式(I)和(II)的哌啶基化合物，以及治疗整合素介导的疾病的方法，其中W、R2、Z和q在申请中有描述。
• Synthesis and pharmacological evaluation of glycine amide derivatives as novel vascular adhesion protein-1 inhibitors without CYP3A4 and CYP2C19 inhibition
  作者：Susumu Yamaki、Yuji Koga、Akira Nagashima、Mitsuhiro Kondo、Yoshiaki Shimada、Keitaro Kadono、Ayako Moritomo、Kosei Yoshihara

  DOI：10.1016/j.bmc.2017.05.059

  日期：2017.8

  Vascular adhesion protein-1 (VAP-1) is a promising therapeutic target for the treatment of diabetic nephropathy. Here, we conducted optimization studies of our lead compound 1, which we previously reported as a novel VAP-1 inhibitor, to enhance the inhibition of human VAP-1 and to reduce CYP3A4 and CYP2C19 inhibition. As a result, we identified 3-chloro-4-4-[5-(3-[glycyl(methyl)amino]methyl}phen

  血管粘附蛋白1（VAP-1）是治疗糖尿病性肾病的有希望的治疗靶标。在这里，我们对我们先前作为新型VAP-1抑制剂报道的先导化合物1进行了优化研究，以增强对人VAP-1的抑制作用并降低CYP3A4和CYP2C19的抑制作用。结果，我们鉴定出3-氯-4- 4- [5-（3-[甘氨酸（甲基）氨基]甲基}苯基）嘧啶-2-基]哌嗪-1-基}苯甲酸（17h）作为一种新型口服活性VAP-1抑制剂，与没有CYP3A4和CYP2C19抑制作用相比，具有1倍的人VAP-1抑制活性，增加了14倍。口服17h 以0.3和1 mg / kg的剂量显着抑制链脲佐菌素（STZ）诱导的糖尿病大鼠蛋白尿的进展，表明该化合物具有治疗糖尿病性肾病的潜力。
• Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions
  申请人：Mueller Georg Stephan

  公开号：US20070072847A1

  公开（公告）日：2007-03-29

  The present invention relates to the CGRP-antagonists of general formula I wherein R 1 , R 2 , R 3 and R 4 are defined as in claim 1, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates thereof, the mixtures thereof and the salts thereof and the hydrates of the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, as well as those compounds of general formula I wherein one or more hydrogen atoms are replaced by deuterium, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一般式I的CGRP拮抗剂，其中R1、R2、R3和R4如权利要求1中所定义，其互变异构体、同分异构体、对映异构体、旋光异构体、水合物、其混合物及其盐以及其盐的水合物，特别是其与无机或有机酸或碱形成的生理上可接受的盐，以及一般式I中一个或多个氢原子被氘取代的化合物，含有这些化合物的药物组合物，它们的用途和制备它们的方法。