6-oxo-1-(phenylmethyl)-2-piperidinecarboxylic acid | 141884-90-4

• 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: 6-oxo-1-(phenylmethyl)-2-piperidinecarboxylic acid
• 英文别名: 1-Benzyl-6-oxopiperidine-2-carboxylic acid
• CAS: 141884-90-4
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: MQGDIMKFAHSDQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-3-(三氟甲基)苄胺 、 6-oxo-1-(phenylmethyl)-2-piperidinecarboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.5h， 生成 N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-6-oxo-1-(phenylmethyl)-2-piperidinecarboxamide
  参考文献：
  名称：

  WO2008/116845

  摘要：

  公开号：
• 作为产物：
  描述：

  (1-benzyl-6-oxopiperidin-2-yl)methyl acetate 在 铂 水 、 氧气 、 potassium carbonate 作用下， 生成 6-oxo-1-(phenylmethyl)-2-piperidinecarboxylic acid
  参考文献：
  名称：

  Electrophilic Olefin Heterocyclization in Organic Synthesis. Formation of d-Lactams by Iodine-induced Lactamization of d,e-Unsaturated Thioimidates

  摘要：

  The diastereoselective iodine-induced lactamization of delta,epsilon-unsaturated thioimidates (1) accessible from allylation of a dianion of N-benzyl-3-phenylsulfonylpropionamide (3) followed by elaboration gave the substituted delta-lactams (2).

  DOI：

  10.3987/com-91-5940

文献信息

• [EN] HETEROCYCLYL(PHENYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA<br/>[FR] COMPOSÉS HÉTÉROCYCLYL(PHÉNYL) MÉTHANOL UTILES DANS LE TRAITEMENT DE L'HYPERGLYCÉMIE
  申请人：ATROGI AB

  公开号：WO2020188301A1

  公开（公告）日：2020-09-24

  There is herein provided a compound of formula I or a pharmaceutically acceptable salt thereof, wherein X, R1, R2, R3, ring A, n and y have meanings as provided in the description.

  在此提供了一个式I的化合物或其药用盐，其中X、R1、R2、R3、环A、n和y的含义如描述中所提供。
• [EN] CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS<br/>[FR] COMPOSÉS DE CARBOXAMIDE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA CALPAÏNE
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2010128102A1

  公开（公告）日：2010-11-11

  The present invention relates to novel carboxamide compounds and their use for the manufacture of a medicament. The carboxamide compounds are inhibitors of calpain (calcium dependant cysteine proteases). The invention therefore also relates to the use of these carboxamide compounds for treating a disorder associated with an elevated calpain activity. The carboxamide compounds are compounds of the general formula (I) in which R1, R2, R3a, R3b, R4, Q, Y, A and X have the meanings mentioned in the claims and the description, the tautomers thereof and the pharmaceutically suitable salts thereof. In particular, the compounds have the general formula (Ia) and (Ib) in which R1, r, R2b, R3a, R3b, R4, Y and X have the meanings mentioned in the claims, including the tautomers thereof and the pharmaceutically suitable salts thereof. Of these compounds those are preferred wherein Y is a moiety CH2-CH2, CH2-CH2-CH2, N(Ry#)-CH2, N(Ry#)-CH2-CH2 or CH=CH-CH=, each optionally having 1 or 2 H-atoms replaced with identical or different radicals Ry, wherein Ry and Ry# have the meanings mentioned in the claims.

  本发明涉及新型羧酰胺化合物及其用于制备药物的用途。这些羧酰胺化合物是钙蛋白酶（依赖于钙的半胱氨酸蛋白酶）的抑制剂。因此，该发明还涉及利用这些羧酰胺化合物治疗与升高的钙蛋白酶活性相关的疾病。这些羧酰胺化合物是通式（I）的化合物，其中R1、R2、R3a、R3b、R4、Q、Y、A和X具有权利要求和说明中提及的含义，以及它们的互变异构体和药用盐。特别地，这些化合物具有通式（Ia）和（Ib），其中R1、r、R2b、R3a、R3b、R4、Y和X具有权利要求中提及的含义，包括它们的互变异构体和药用盐。在这些化合物中，首选Y是一个基团CH2- 、 - - 、N(Ry#)- 、N(Ry#)- - 或CH=CH-CH=，每个基团可选择地用1或2个氢原子替换为相同或不同的基团Ry，其中Ry和Ry#具有权利要求中提到的含义。
• Compounds, compositions, and methods
  申请人：——

  公开号：US20040142949A1

  公开（公告）日：2004-07-22

  Compounds, compositions and methods useful for treating cellular proliferative diseases and disorders, for example, by modulating the activity of KSP, are disclosed.

  本发明公开了用于治疗细胞增殖性疾病和紊乱的化合物、组合物和方法，例如，通过调节KSP的活性。
• Substituted imidazole derivatives
  申请人：Wang Weibo

  公开号：US20090258016A1

  公开（公告）日：2009-10-15

  The present invention relates to new substituted imidazole compounds and pharmaceutically acceptable salts, esters or prodrugs thereof, compositions of the new compounds together with pharmaceutically acceptable carriers, and uses of the new compounds. The compounds of the invention have the following general formula:

  本发明涉及新的取代咪唑化合物及其药学上可接受的盐、酯或前药，以及新化合物与药学上可接受的载体的组合物，和新化合物的用途。本发明的化合物具有以下一般式：
• CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS
  申请人：Mack Helmut

  公开号：US20110086879A1

  公开（公告）日：2011-04-14

  The present invention relates to novel carboxamide compounds and their use for the manufacture of a medicament. The carboxamide compounds are inhibitors of calpain (calcium dependant cysteine proteases). The invention therefore also relates to the use of these carboxamide compounds for treating a disorder associated with an elevated calpain activity. The carboxamide compounds are compounds of the general formula I in which R 1 , R 2 , R 3a , R 3b , R 4 , Q, Y, A and X have the meanings mentioned in the claims and the description, the tautomers thereof and the pharmaceutically suitable salts thereof. In particular, the compounds have the general formula Ia and Ib in which R 1 , r, R 2b , R 3a , R 3b , R 4 , Y and X have the meanings mentioned in the claims, including the tautomers thereof and the pharmaceutically suitable salts thereof. Of these compounds those are preferred wherein Y is a moiety CH 2 —CH 2 , CH 2 —CH 2 —CH 2 , N(R y# )—CH 2 , N(R y# )—CH 2 —CH 2 or CH═CH—CH═, each optionally having 1 or 2 H-atoms replaced with identical or different radicals R y , wherein R y and R y# have the meanings mentioned in the claims.

  本发明涉及新型羧酰胺化合物及其用于制备药物的用途。这些羧酰胺化合物是钙依赖性半胱氨酸蛋白酶（calpain）的抑制剂。因此，本发明还涉及使用这些羧酰胺化合物治疗与升高的calpain活性相关的疾病。这些羧酰胺化合物是通式I的化合物，其中R1、R2、R3a、R3b、R4、Q、Y、A和X具有所述权利要求和说明书中提到的含义，它们的互变异构体和药学上适用的盐。特别是，化合物具有通式Ia和Ib，其中R1、r、R2b、R3a、R3b、R4、Y和X具有所述权利要求中提到的含义，包括其互变异构体和药学上适用的盐。其中，首选Y是CH2- 、 - - 、N（Ry#）- 、N（Ry#）- - 或CH=CH-CH=的基团，每个基团可选择性地用相同或不同的基团Ry替换1或2个氢原子，其中Ry和Ry#具有所述权利要求中提到的含义。