4-(4-Phenylphenyl)-1,2,3,6-tetrahydropyridine | 202716-32-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-Phenylphenyl)-1,2,3,6-tetrahydropyridine
• CAS: 202716-32-3
• 化学式: C₁₇H₁₇N
• mdl: MFCD11522791
• 分子量: 235.329
• InChiKey: NEDRMVIEJKIVCU-UHFFFAOYSA-N

物化性质

• 沸点：
  387.5±41.0 °C(Predicted)
• 密度：
  1.054±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.176
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(4-Phenylphenyl)-1,2,3,6-tetrahydropyridine 在 氯磺酸 作用下， 生成
  参考文献：
  名称：

  Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs

  摘要：

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.076
• 作为产物：
  描述：

  3,6-二氢-4-[[(三氟甲基)磺酰]氧基]-1(2H)-吡啶甲酸叔丁酯 在 盐酸 、 palladium diacetate 、 sodium hydroxide 作用下， 生成 4-(4-Phenylphenyl)-1,2,3,6-tetrahydropyridine
  参考文献：
  名称：

  Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs

  摘要：

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.076

文献信息

• TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS
  申请人：Dong-A St Co., Ltd.

  公开号：US20180086709A1

  公开（公告）日：2018-03-29

  The present disclosure relates to a novel tetrahydropyridine derivative compound, a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, methods for preparing the compounds, methods for inhibiting UDP-3-O—(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC), methods for treating Gram-negative bacterial infections, the use of the compounds for the preparation of therapeutic medicaments for treating Gram-negative bacterial infections, and pharmaceutical compositions for prevention or treatment of Gram-negative bacterial infections, which contain the compounds. The compounds represented by formula I, stereoisomers thereof or pharmaceutically acceptable salts thereof according to the present disclosure can exhibit excellent effects on the treatment bacterial infections.

  本公开涉及一种新型四氢吡啶衍生物化合物，其立体异构体，或其药学上可接受的盐，制备这些化合物的方法，抑制UDP-3-O-(R-3-羟基肉豆蔻酰)-N-乙酰葡萄糖胺脱乙酰酶(LpxC)的方法，治疗革兰氏阴性细菌感染的方法，利用这些化合物制备治疗革兰氏阴性细菌感染的治疗药物的用途，以及包含这些化合物的用于预防或治疗革兰氏阴性细菌感染的药物组合物。根据本公开的公式I所代表的化合物，其立体异构体或药学上可接受的盐可以展现出对治疗细菌感染的优异效果。
• Rational Approaches to Discovery of Orally Active and Brain-Penetrable Quinazolinone Inhibitors of Poly(ADP-ribose)polymerase
  作者：Kouji Hattori、Yoshiyuki Kido、Hirofumi Yamamoto、Junya Ishida、Kazunori Kamijo、Kenji Murano、Mitsuru Ohkubo、Takayoshi Kinoshita、Akinori Iwashita、Kayoko Mihara、Syunji Yamazaki、Nobuya Matsuoka、Yoshinori Teramura、Hiroshi Miyake

  DOI：10.1021/jm0499256

  日期：2004.8.1

  A novel class of quinazolinone derivatives as potent poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors has been discovered. Key to success was application of a rational discovery strategy involving structure-based design, combinatorial chemistry, and classical SAR for improvement of potency and bioavailability. The new inhibitors were shown to bind to the nicotinamide-ribose binding site (NI site) and

  已发现一类新型的喹唑啉酮衍生物作为有效的聚（ADP-核糖）聚合酶-1（PARP-1）抑制剂。成功的关键是应用合理的发现策略，包括基于结构的设计，组合化学和经典SAR，以提高药效和生物利用度。新抑制剂被显示与NAD +的烟酰胺-核糖结合位点（NI位点）和腺苷-核糖结合位点（AD位点）结合。
• [EN] CONDENSED HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONDENSÉS
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2003063874A1

  公开（公告）日：2003-08-07

  A condensed heterocyclic compound having poly(adenosine 5'-diphospho-ribose)polymerase (PARP) inhibitory activity represented by the formula (I): wherein R1 is hydrogen, halogen, lower alkyl or lower alkoxy, A and two adjacent carbon atoms of the six membered ring to be bonded with A form benzene ring, pyridine ring, etc, -Y1=Y2- is formula (II) wherein L11, L12, L13 and L14 is (1) lower alkylene, (2) lower alkenylene, etc, and R21, R22 , R23 and R24 is (1) cyclic amino group, which is substituted with phenyl optionally substituted with one or more suitable substituent(s), etc. provided that when A and two adjacent carbon atoms of the six membered ring to be bonded with A form benzene ring, then -Y1=Y2- is formula (III) or its prodrug, or their salts.

  一种具有聚腺苷酸二磷酸核糖酶（PARP）抑制活性的缩合杂环化合物，其化学式表示为（I）：其中R1为氢、卤素、低碳基或低烷氧基，A和与A结合的六元环中的两个相邻碳原子形成苯环、吡啶环等，-Y1 = Y2-为公式（II），其中L11，L12，L13和L14为（1）低碳基烷，（2）低碳基烯烃等，R21，R22，R23和R24为（1）环状氨基，其可选地用苯基取代，该苯基可用一个或多个适当的取代基取代等。前提是当A和与A结合的六元环中的两个相邻碳原子形成苯环时，-Y1 = Y2-为公式（III）或其前药，或其盐。
• Condensed heterocyclic compounds
  申请人：Ishida Junya

  公开号：US20050080096A1

  公开（公告）日：2005-04-14

  A condensed heterocyclic compound having poly(adenosine 5′-diphospho-ribose)polymerase (PARP) inhibitory activity by the formula (I): wherein R 1 is hydrogen, halogen, lower alkyl or lower alkoxy, A and two adjacent carbon atoms of the six membered ring to be bonded with A form benzene ring, pyridine ring, etc, —Y 1 ═Y 2 — is formula (II) wherein L 11 , L 12 , L 13 and L 14 is (1) lower alkylene, (2) lower alkenylene, etc, and R 21 , R 22 , R 23 and R 24 is (1) cyclic amino group, which is substituted with phenyl optionally substituted with one or more suitable substituent(s), etc. provided that when A and two adjacent carbon atoms of the six membered ring to be bonded with A form benzene ring, then —Y 1 ═Y 2 — is formula (III) or its prodrug, or their salts.

  一种具有聚腺苷酸二磷酸核糖酶（PARP）抑制活性的简化杂环化合物，其化学式为（I）：其中R1为氢、卤素、低碳基或低氧基，A和要与A结合的六元环的两个相邻碳原子形成苯环、吡啶环等，—Y1═Y2—为式（II），其中L11、L12、L13和L14为（1）低碳基烷基（2）低碳基烯基等，R21、R22、R23和R24为（1）环状氨基基团，该基团被苯基取代，所述苯基可以选择一个或多个适当的取代基，等。前提是当A和要与A结合的六元环的两个相邻碳原子形成苯环时，—Y1═Y2—为式（III）或其前药或其盐。
• ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME
  申请人：SUNTORY LIMITED

  公开号：EP0867183A1

  公开（公告）日：1998-09-30

  A pharmaceutical composition, especially a pharmaceutical composition for the alleviation or treatment of symptoms due to ischemic diseases and symptoms derived from seizures, epilepsy, and migraine, and a Ca2+ overload suppressant, containing an arylpiperidinol or arylpiperidine derivative having the formula (I): wherein, R is H, an optionally substituted phenyl, an optionally substituted phenoxy, or an optionally substituted benzoyl, A is a connecting bond, a cycloalkylene, or an alkenylene optionally substituted with a lower alkyl, B is an alkylene optionally substituted with OH or an alkoxy or -NHCO(CH2)n- where n is an integer of 1 to 5, E is a connecting bond, O, or a methylene, X is OH or H provided that when E is O or a methylene, X is not H, and Y and Z are independently H, a halogen, an alyoxy, or an alyyl optionally substituted with a halogen.

  一种药物组合物，特别是一种用于缓解或治疗缺血性疾病引起的症状和癫痫发作、癫痫和偏头痛引起的症状的药物组合物，以及一种Ca2+超载抑制剂，含有具有式(I)的芳基哌啶醇或芳基哌啶衍生物： 其中，R 是 H、任选取代的苯基、任选取代的苯氧基或任选取代的苯甲酰基，A 是连接键、环烷基或任选被低级烷基取代的烯基、B 是任选被 OH 或烷氧基或-NHCO(CH2)n-取代的亚烷基，其中 n 是 1 至 5 的整数；E 是连接键、O 或亚甲基；X 是 OH 或 H，但当 E 是 O 或亚甲基时，X 不是 H；Y 和 Z 独立地是 H、卤素、烯丙基氧基或任选被卤素取代的烯丙基。