(3S,4R)-trans-N-(tert-butoxycarbonyl)-4-phenyl-3-carboxypiperidine | 170838-49-0

• 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: (3S,4R)-trans-N-(tert-butoxycarbonyl)-4-phenyl-3-carboxypiperidine
• 英文别名: (3S,4R)-1-(tert-butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid；(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
• CAS: 170838-49-0
• 化学式: C₁₇H₂₃NO₄
• 分子量: 305.374
• InChiKey: UHRXHCZPUWORFZ-UONOGXRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3S,4R)-trans-N-(tert-butoxycarbonyl)-4-phenyl-3-carboxypiperidine 在 N-甲基吗啉 、 盐酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 (3S,4R)-4-Phenyl-piperidine-3-carboxylic acid {(S)-3-[6-(4-chloro-phenylsulfanyl)-2-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-pyridazin-4-yl]-1-methyl-propyl}-amide
  参考文献：
  名称：

  Design and syntheses of melanocortin subtype-4 receptor agonists: evolution of the pyridazinone archetype

  摘要：

  The discovery and optimization of a new class of non-peptidyl, pyridazinone derived melanocortin subtype-4 receptor agonists is disclosed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.026
• 作为产物：
  描述：

  (3R,4R)-cis-N-(tert-butoxycarbonyl)-4-phenyl-3-carboxypiperidine 在 甲醇 、 sodium 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 (3S,4R)-trans-N-(tert-butoxycarbonyl)-4-phenyl-3-carboxypiperidine
  参考文献：
  名称：

  Design and syntheses of melanocortin subtype-4 receptor agonists: evolution of the pyridazinone archetype

  摘要：

  The discovery and optimization of a new class of non-peptidyl, pyridazinone derived melanocortin subtype-4 receptor agonists is disclosed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.026

文献信息

• NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160221948A1

  公开（公告）日：2016-08-04

  The present invention provides a compound represented by the following formula (I) or its pharmaceutically acceptable salt: [wherein, R 1 represents optionally substituted C 1-4 alkyl, n shows integer of 1 to 4, R 2 represents optionally substituted C 1-4 alkyl or hydrogen atom, R 3 represents optionally substituted C 1-4 alkyl, R 4a , R 4b , R 4c , and R 4d , similarly or differently, represent optionally substituted C 6-14 aryl, optionally substituted C 1-4 alkyl, or hydrogen atom and the like, A represents optionally substituted C 6-14 aryl or optionally substituted 5 to 11 membered heteroaryl].

  本发明提供了一种由下式(I)表示的化合物或其药用可接受的盐： [其中，R1表示可选地取代的C1-4烷基，n表示1到4的整数，R2表示可选地取代的C1-4烷基或氢原子，R3表示可选地取代的C1-4烷基，R4a、R4b、R4c和R4d，相同或不同，表示可选地取代的C6-14芳基，可选地取代的C1-4烷基，或氢原子等，A表示可选地取代的C6-14芳基或可选地取代的5至11成员的杂芳基]。
• PIPERAZINE AMIDE DERIVATIVES
  申请人：Dehmlow Henrietta

  公开号：US20090048264A1

  公开（公告）日：2009-02-19

  The invention is concerned with novel piperazine amide derivatives of formula (I) wherein R 1 to R 11 , W, X and Y are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds bind to LXR alpha and LXR beta and can be used as medicaments.

  这项发明涉及一种新型哌嗪酰胺衍生物，其化学式为（I），其中R1至R11、W、X和Y如描述和索赔中定义，并且其生理上可接受的盐。这些化合物能够结合到LXRα和LXRβ，并可用作药物。
• Sulfonamides and Pharmaceutical Compositions Thereof
  申请人：Estep Kimberly Gail

  公开号：US20100035865A1

  公开（公告）日：2010-02-11

  The invention is directed to a class of compounds, including the pharmaceutically acceptable salts of the compounds, having the structure of formula (I), as defined in the specification. The invention is also directed to compositions containing the compounds of formula (I).

  本发明涉及一类化合物，包括化合物的药学上可接受的盐，具有公式(I)所定义的结构，本发明还涉及含有公式(I)化合物的组合物。
• BICYCLIC HETEROCYCLIC DERIVATIVE
  申请人：Nakahira Hiroyuki

  公开号：US20110190278A1

  公开（公告）日：2011-08-04

  The present invention relates to a compound of the following formula (I) or a pharmaceutically acceptable salt thereof, being useful as a renin inhibitor. [wherein R 1a is halogen, etc.; R 1m is H, etc.; G 1 is —N(R 1b )—, etc.; G 2 is —CO—, etc.; G 3 is —C(R 1c )(R 1d )—, etc.; G 4 is oxygen, etc.; R 1b is optionally substituted C 1-6 alkyl, etc.; R 1c and R 1d are independently the same or different, H, etc.; R 3 is H, optionally substituted C 1-6 alkyl, etc.; R 3a , R 3b , R 3 c and R 3d are independently the same or different, and a group: -A-B (said A is single bond, etc., and said B is H, etc.), etc.; and n is 1, etc.]

  本发明涉及以下式（I）的化合物或其药学上可接受的盐，其可用作肾素抑制剂。[其中，R1a是卤素等；R1m是H等；G1是—N（R1b）—等；G2是—CO—等；G3是—C（R1c）（R1d）—等；G4是氧等；R1b是可选取代的C1-6烷基等；R1c和R1d独立选择为H等；R3是H、可选取代的C1-6烷基等；R3a、R3b、R3c和R3d独立选择为相同或不同的基团：-A-B（其中A是单键等，B是H等）等；n为1等。]
• Piperazine amide derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US08288541B2

  公开（公告）日：2012-10-16

  The invention is concerned with novel piperazine amide derivatives of formula (I) wherein R1 to R11, W, X and Y are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds bind to LXR alpha and LXR beta and can be used as medicaments.

  这项发明涉及公式(I)中的新型哌嗪酰胺衍生物，其中R1至R11、W、X和Y如说明书和权利要求中所定义，以及其生理学上可接受的盐。这些化合物与LXR alpha和LXR beta结合，可用作药物。