3-(哌啶-1-基羰基)苯胺 | 77201-13-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(哌啶-1-基羰基)苯胺
• 中文别名: (3-氨基-苯基)-哌啶-1-甲酮
• 英文名称: 1-(3-amino-benzoyl)-piperidine
• 英文别名: 1-(3-Amino-benzoyl)-piperidin；(3-aminophenyl)-piperidin-1-yl-methanone；(3-Amino-phenyl)-piperidin-1-yl-methanone；(3-aminophenyl)-piperidin-1-ylmethanone
• CAS: 77201-13-9
• 化学式: C₁₂H₁₆N₂O
• mdl: MFCD00503905
• 分子量: 204.272
• InChiKey: AITMOJIGHBMWDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3-(哌啶-1-基羰基)苯胺 在 四氯化钛 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到3-(1-哌啶基甲基)苯胺
  参考文献：
  名称：

  方便，通用地将酰胺还原为低价钛的胺

  摘要：

  AbstractLow‐valent titanium readily prepared in situ from TiCl4 and Mg powder in THF is found to be an active agent for the reduction of amides which were previously considered to be inert towards low‐valent titanium. The reaction proceeds under very mild conditions, and is applicable to all types of amides, primary, secondary and tertiary, to produce the corresponding amines in good to excellent yields. This new finding provides a practical, convenient and general method for the important transformation of amides to amines. A plausible reaction mechanism is proposed.magnified image

  DOI：

  10.1002/adsc.201300355
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 ammonium sulfide 作用下， 生成 3-(哌啶-1-基羰基)苯胺
  参考文献：
  名称：

  Schotten, Chemische Berichte, 1888, vol. 21, p. 2251

  摘要：

  DOI：

文献信息

• Pyridoxal-5-phosphate derivatives as HIV integrase inhibitors
  申请人：Pharmacor Inc.

  公开号：US06638921B1

  公开（公告）日：2003-10-28

  A compound of formula I and pharmaceutically acceptable derivatives thereof Cx, R1 and R2 being as defined in the disclosure may be used to inhibit the activity of HIV integrase.

  化合物的化学式为I，及其在药学上可接受的衍生物Cx，其中R1和R2的定义如披露中所述，可用于抑制HIV整合酶的活性。
• Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors
  申请人：ALLEN David George

  公开号：US20080175914A1

  公开（公告）日：2008-07-24

  The invention relates to a compound of formula (I) or a salt thereof: wherein: R 1 is C 1-4 alkyl, C 1-3 fluoroalkyl, —CH 2 CH 2 OH or —CH 2 CH 2 CO 2 C 1-2 alkyl; R 2 is a hydrogen atom (H), methyl or C 1 fluoroalkyl; R 3 is optionally substituted C 3-8 cycloalkyl or optionally substituted mono-unsaturated-C 5-7 cycloalkenyl or an optionally substituted heterocyclic group of sub-formula (aa), (bb) or (cc); in which n 1 and n 2 independently are 1 or 2; and in which Y is O, S, SO 2 , or NR 10 ; or R 3 is a bicyclic group (dd) or (ee): and wherein X is NR 4 R 5 or OR 5a . The compounds are phosphodiesterase (PDE) inhibitors, in particular PDE 4 inhibitors. Also provided is the use of a compound of formula (I), or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for the treatment and/or prophylaxis of an inflammatory and/or allergic disease in a mammal such as a human, for example chronic obstructive pulmonary disease (COPD), asthma, or allergic rhinitis.

  本发明涉及公式（I）的化合物或其盐： 其中： R1是C1-4烷基，C1-3氟烷基，-CH2CH2OH或-CH2CH2CO2C1-2烷基; R2是氢原子（H），甲基或C1氟烷基; R3是可选取代的C3-8环烷基或可选取代的单不饱和C5-7环烯基或亚公式（aa），（bb）或（cc）的可选取代的杂环基; 其中n1和n2独立地为1或2; Y是O，S，SO2或NR10; 或R3是双环基（dd）或（ee）： 其中X是NR4R5或OR5a。 该化合物是磷酸二酯酶（PDE）抑制剂，特别是PDE4抑制剂。本发明还提供了公式（I）的化合物或其药学上可接受的盐的用途，用于制造治疗和/或预防哺乳动物，如人类的炎症性和/或过敏性疾病的药物，例如慢性阻塞性肺疾病（COPD），哮喘或过敏性鼻炎。
• UREA COMPOUND OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP2065369A1

  公开（公告）日：2009-06-03

  [Object] To provide a compound which can be used for the treatment of a disease associated with fatty acid amide hydrolase (FAAH), particularly urinary frequency, urinary incontinence and/or overactive bladder. [Means for solution] It is confirmed that a urea compound chemical-structurally characterized by having a piperidine or piperazine ring or a salt thereof has an excellent FAAH-inhibitory activity, and thus the present invention is completed. The urea compound or its pharmaceutically acceptable salt of the present invention can increase the effective bladder capacity and ameliorate the state of urinary frequency, and is therefore useful as an agent for treating urinary frequency, urinary incontinence and/or overactive bladder.

  [目的]提供一种化合物，该化合物可用于治疗与脂肪酸酰胺水解酶（FAAH）相关的疾病，特别是尿频、尿失禁和/或膀胱过度活动症。 [解决方法]经证实，一种化学结构特征为具有哌啶或哌嗪环的脲化合物或其盐具有优异的 FAAH 抑制活性，因此本发明得以完成。本发明的脲化合物或其药学上可接受的盐可增加有效膀胱容量，改善尿频状态，因此可作为治疗尿频、尿失禁和/或膀胱过度活动症的药物。
• Design and synthesis of a pyrido[2,3-d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors
  作者：Hui Huang、Daniel A. Hutta、Huaping Hu、Renee L. DesJarlais、Carsten Schubert、Ioanna P. Petrounia、Margery A. Chaikin、Carl L. Manthey、Mark R. Player

  DOI：10.1016/j.bmcl.2008.02.070

  日期：2008.4

  A series of pyrimidinopyridones has been designed, synthesized and shown to be potent and selective inhibitors of the FMS tyrosine kinase. Introduction of an amide substituent at the 6-position of the pyridone core resulted in a significant potency increase. Compound 24 effectively inhibited in vivo LPS-induced TNF in mice greater than 80%. (C) 2008 Elsevier Ltd. All rights reserved.
• Acryloylamino-salicylanilides as EGFR PTK inhibitors
  作者：Wei Deng、Zongru Guo、Yanshen Guo、Zhiqiang Feng、Yi Jiang、Fengming Chu

  DOI：10.1016/j.bmcl.2005.06.088

  日期：2006.1

  A series of acryloylamino-salicylanilides were synthesized as inhibitors of EGFR PTK. A strategy of pseudo six-membered ring formed through intramolecular hydrogen bonding in salicylanilides is employed to mimic the planar pyrimidine ring of quinazoline EGFR inhibitors. Acrylamido moiety is incorporated to target the Cys-773 of EGFR specifically. Some of the obtained compounds exhibited good activity as EGFR inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.