2-(哌啶-4-基)苯甲酸甲酯 | 176526-08-2

• 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: 2-(哌啶-4-基)苯甲酸甲酯
• 中文别名: 2-(哌啶-4-基)苯甲酸甲酯盐酸盐
• 英文名称: methyl 2-(piperidin-4-yl)benzoate
• 英文别名: Methyl 2-piperidin-4-ylbenzoate
• CAS: 176526-08-2
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: FTYWVJRACDMVTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-(哌啶-4-基)苯甲酸甲酯 在 碳酸氢钠 、 potassium carbonate 、 肼 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙酸乙酯 为溶剂， 反应 33.0h， 生成 methyl 2-(1-(5-chloro-6-(2-(2-cyclopropylacetyl)hydrazinyl)pyridazin-4-yl)piperidin-4-yl)benzoate
  参考文献：
  名称：

  [EN] POSITIVE ALLOSTERIC MODULATORS OF MGLUR2
  [FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE MGLUR2

  摘要：

  本公开通常涉及公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物可以调节mGluR2受体，并且可能用于治疗中枢神经系统的各种疾病。公式（I）：

  公开号：

  WO2013192306A1
• 作为产物：
  描述：

  tert-butyl 4-[2-(methoxycarbonyl)phenyl]piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以93%的产率得到2-(哌啶-4-基)苯甲酸甲酯
  参考文献：
  名称：

  Phenylpiperidine-benzoxazinones as urotensin-II receptor antagonists: Synthesis, SAR, and in vivo assessment

  摘要：

  Various 4-phenylpiperidine-benzoxazin-3-ones were synthesized and biologically evaluated as urotensin-II (U-II) receptor antagonists. Compound 12i was identified from in vitro evaluation as a low nanomolar antagonist against both rat and human U-II receptors. This compound showed in vivo efficacy in reversing the ear-flush response induced by U-II in rats. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.092

文献信息

• 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] CHEMOKING RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DE CHIMIOKINES
  申请人：ABBOTT LAB

  公开号：WO2013010453A1

  公开（公告）日：2013-01-24

  Disclosed herein are chemokine receptor antagonists of formula (I) wherein G1, X1, X2, and X3 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文揭示了化学受体拮抗剂的化学式(I)，其中G1、X1、X2和X3如规范中所定义。还描述了包含这种化合物的组合物；以及使用这种化合物和组合物治疗疾病和疾病的方法。
• N-substituted naphthalene carboxamides as neurokinin-receptor antagonists
  申请人：Astra Zeneca AB

  公开号：US06365602B1

  公开（公告）日：2002-04-02

  A compound of formula I wherein: R is alkyl; R1 is optionally substituted phenyl 2-oxo-tetrahydro-1(2H)-pyrimidinyl, or 2-oxo-1-piperidinyl; R2 is hydrogen, alkoxy, alkanoyloxy, alkoxycarbonyl, alkanoylamino, acyl, alkyl, carbamoyl, N-alkylcarbamoyl, N,N-dialkylcarbamoyl where the alkyl groups are the same or different, hydroxy, thioacyl, thiocarbamoyl, N-alkylthiocarbamoyl, or N,N-dialkylthiocarbamoyl where the alkyl groups are the same or different. X1 and X2 are independently hydrogen or halo, provided that at least one of X1 or X2 is halo; and R3, R4, R5 and R6 are independently hydrogen, cyano, nitro, trifluoromethoxy, trifluoromethyl, or alkylsulfonyl are antagonists of at least one tachykinin receptor and are useful in the treatment of depression, anxiety, asthma, pain, inflammation, urinary incontinence and other disease conditions. Process for their preparation are described, as are compositions containing them and their use.

  公式I的化合物中：R是烷基；R1是可选择地取代的苯基2-氧代四氢-1(2H)-嘧啶基，或2-氧代-1-哌啶基；R2是氢、烷氧基、烷酰氧基、烷氧羰基、烷酰胺基、酰基、烷基、氨基甲酰基、N-烷基氨基甲酰基、N,N-二烷基氨基甲酰基（其中烷基基团相同或不同）、羟基、硫代酰基、硫代氨基甲酰基、N-烷基硫代氨基甲酰基、或N,N-二烷基硫代氨基甲酰基（其中烷基基团相同或不同）。X1和X2独立地为氢或卤素，但至少X1或X2中的一个为卤素；R3、R4、R5和R6独立地为氢、氰基、硝基、三氟甲氧基、三氟甲基、或烷基磺酰基，它们是至少一种催吐肽受体的拮抗剂，对治疗抑郁症、焦虑症、哮喘、疼痛、炎症、尿失禁和其他疾病情况有用。描述了它们的制备方法，以及含有它们和它们的用途的组合物。
• Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines
  作者：Rita L. Civiello、Xiaojun Han、Brett R. Beno、Prasad V. Chaturvedula、John J. Herbst、Cen Xu、Charles M. Conway、John E. Macor、Gene M. Dubowchik

  DOI：10.1016/j.bmcl.2016.01.026

  日期：2016.2

  improved oral bioavailability, metabolic stability, and pharmacokinetic properties, lower molecular weight, structurally simpler piperidine and piperazine analogs of BMS-694153 were prepared. Several were found to have nM binding affinity in vitro. The synthesis and SAR of these substituted piperidine and piperazine CGRP antagonists are discussed.

  降钙素基因相关肽（CGRP）是一种强力神经肽，与偏头痛的病理生理有关。在寻求具有改善的口服生物利用度，代谢稳定性和药代动力学性质的CGRP拮抗剂的过程中，制备了BMS-694153的较低分子量，结构更简单的哌啶和哌嗪类似物。发现一些在体外具有nM结合亲和力。讨论了这些取代的哌啶和哌嗪CGRP拮抗剂的合成和SAR。
• Urotensin II receptor antagonists
  申请人：Ghosh Shyamali

  公开号：US20080039454A1

  公开（公告）日：2008-02-14

  The invention is directed to Urotensin II receptor antagonists. More specifically, the present invention relates to certain novel compounds and methods for preparing compounds, compositions, intermediates and derivatives thereof. Pharmaceutical compositions and methods for treating or ameliorating a Urotensin-II mediated disorder using compounds of the invention are also described.

  该发明涉及尿苷II受体拮抗剂。更具体地，本发明涉及某些新颖化合物以及制备这些化合物、组合物、中间体和衍生物的方法。还描述了使用本发明的化合物治疗或改善尿苷II介导的疾病的药物组合物和方法。