4-([1,1'-biphenyl]-4-yl)piperidine | 143867-44-1

• 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: 4-([1,1'-biphenyl]-4-yl)piperidine
• 英文别名: 4-(4'-phenyl)phenylpiperidine；4-Biphenyl-4-yl-piperidine；4-(4-phenylphenyl)piperidine
• CAS: 143867-44-1
• 化学式: C₁₇H₁₉N
• mdl: MFCD05189914
• 分子量: 237.345
• InChiKey: LLCOFJXNVPRWLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.294
• 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-([1,1'-biphenyl]-4-yl)piperidine 在 O-(叔丁基二甲基硅烷)羟胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
  参考文献：
  名称：

  Design and synthesis of potent Gram-negative specific LpxC inhibitors

  摘要：

  Antibiotic resistant hospital acquired infections are on the rise, creating an urgent need for novel bactericidal drugs. Enzymes involved in lipopolysaccharide (LPS) biosynthesis are attractive antibacterial targets since LPS is the major structural component of the outer membrane of Gram-negative bacteria. Lipid A is an essential hydrophobic anchor of LPS and the first committed step in lipid A biosynthesis is catalyzed by a unique zinc dependent metalloamidase, UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC). LpxC is an attractive Gram-negative only target that has been chemically validated by potent bactericidal hydroxamate inhibitors that work by coordination of the enzyme's catalytic zinc ion. An exploratory chemistry effort focused on expanding the SAR around hydroxamic acid zinc-binding 'warheads' lead to the identification of novel compounds with enzyme potency and antibacterial activity similar to CHIR-090. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.111
• 作为产物：
  描述：

  4-(4-联苯基)吡啶 在 platinum(IV) oxide 、 氢气 、 甲烷 、 三氟乙酸 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、1.0 MPa 条件下， 以78 %的产率得到4-([1,1'-biphenyl]-4-yl)piperidine
  参考文献：
  名称：

  10.1021/jacs.4c05883

  摘要：

  DOI：

  10.1021/jacs.4c05883

文献信息

• DOCK1-INHIBITING COMPOUND AND USE THEREOF
  申请人：Kyushu University, National University Corporation

  公开号：EP3888651A1

  公开（公告）日：2021-10-06

  Provided is a compound that is usable as an active ingredient of an anticancer agent. Preferably provided is a compound that has DOCK1-inhibiting activity and exerts an anticancer effect based on the activity. A compound represented by the following formula (A) or a salt thereof: wherein X represents a carbon atom or a nitrogen atom; Y represents an oxygen atom, a hydroxy group, or a hydrocarbon group; R1 and R2 are different, and each represents a hydrogen atom or a group represented by the following formula (A-1): (wherein R6 represents a pyrrolidino group or a phenyl group, and n2 is 0 or 1) ; R3 represents -CO-R7 (wherein R7 is an alkoxy group, an alkyl group, or an alkylamino group), a 1,3-oxazole group, an alkylhydroxy group, a hydrogen atom, or an oxygen atom; R4 represents a hydrogen atom, an oxygen atom, or a hydrocarbon group in which one or more hydrogen atoms may be replaced by one or more substituents; R5 represents a halogen atom, a halogenated alkyl group, or a halogenated alkylthio group; and n1 is an integer of 0 to 5; and

  提供一种可用作抗癌药物活性成分的化合物。最好提供一种具有DOCK1抑制活性并基于该活性发挥抗癌作用的化合物。一种由以下式（A）表示的化合物或其盐： 其中 X代表碳原子或氮原子； Y代表氧原子、羟基或烃基； R1和R2不同，每个代表氢原子或由以下式（A-1）表示的基团： （其中R6代表吡咯烷基或苯基，n2为0或1）； R3代表-CO-R7（其中R7为烷氧基、烷基或烷基氨基），1,3-噁唑基、烷基羟基、氢原子或氧原子； R4代表氢原子、氧原子或一个或多个氢原子可被一个或多个取代基取代的烃基； R5代表卤原子、卤代烷基或卤代烷硫基；以及 n1为0至5的整数；
• [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。
• [EN] HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE UTILISES COMME INHIBITEURS DE METALLOPROTEASES MATRICIELLES
  申请人：PFIZER LIMITED

  公开号：WO1999029667A1

  公开（公告）日：1999-06-17

  (EN) Compounds of formula (I) or pharmaceutically or veterinarily acceptable salts thereof, or pharmaceutically or veterinarily acceptable solvates of either entity, wherein the broken line represents an optional bond; A is C or CH; B is CH2, O or absent; R 1 and R2 are each independently selected from hydrogen, C1 to C6 alkyl optionally substituted with C1 to C4 alkoxy or phenyl, and C1 to C6 alkenyl; or, together with the carbon atom to which they are attached, form a C3 to C6 cycloalkyl group which optionally incorporates a heteroatom linkage selected from O, SO, SO2 and NR6 or which is optionally benzo-fused; R3 is hydrogen, halo, R7 or OR7; R4 is hydrogen, C1 to C4 alkyl, C1 to C4 alkoxy, trifluoromethyl or halo; R6 is hydrogen or C1 to C4 alkyl; R7 is an optionally substituted monocyclic or bicyclic ring system; m is 1 or 2; and n is 0, 1 or 2; with the proviso that B is not O when A is C; are MMP inhibitors useful in the treatment of, $i(inter alia), tissue ulceration, wound repair and skin diseases.(FR) L'invention concerne des composés représentés par la formule (I); ou leurs sels acceptables sur le plan pharmaceutique ou vétérinaire, ou des solvates de chacune de ces entités, acceptables sur le plan pharmaceutique ou vétérinaire. Dans ladite formule, la ligne hachurée représente une liaison facultative; A représente C ou CH: B représente CH2, O ou est absent: R1 et R2 sont chacun indépendamment choisis parmi hydrogène, alkyle C1-C6 éventuellement substitué par alcoxy C1-C4 ou phényle, et alcényle C1-C6; ou, conjointement avec l'atome de carbone auquel ils sont attachés, ils forment un groupe cycloalkyle C3-C6 qui comprend éventuellement une liaison hétéroatomique choisie parmi O, SO, SO2 et NR6 ou qui est éventuellement benzo-condensé; R3 représente hydrogène, halo, R7 ou OR7; R4 représente hydrogène, alkyle C1-C4, alcoxy C1-C4, trifluorométhyle ou halo; R6 représente hydrogène ou alkyle C1-C4; R7 représente un système de noyau bicyclique ou monocyclique éventuellement substitué; m représente 1 ou 2; et n représente 0, 1 ou 2; à condition que B ne représente pas O lorsque A représente C. Lesdits composés sont des inhibiteurs de métalloprotéases matricielles utiles, entre autres, pour le traitement de l'ulcération des tissus, de la cicatrisation des blessures et des maladies cutanées.

  化合物的化学式为(I)，或其在药学或兽医学上可接受的盐，或者在药学或兽医学上可接受的溶剂化物，其中断裂线代表可选键；A为C或CH；B为CH2，O或不存在；R1和R2各自独立地选择氢，C1至C6烷基，可选择地被C1至C4烷氧基或苯基取代，以及C1至C6烯基；或者与它们附着的碳原子一起形成一个C3至C6环烷基，该环烷基可以选择地包括从O，SO，SO2和NR6中选择的杂原子连接或者可以选择地与苯融合；R3为氢，卤素，R7或OR7；R4为氢，C1至C4烷基，C1至C4烷氧基，三氟甲基或卤素；R6为氢或C1至C4烷基；R7为可选取代的单环或双环环系；m为1或2；n为0，1或2；但是当A为C时，B不为O。这些化合物是MMP抑制剂，可用于治疗组织溃疡、伤口修复和皮肤疾病等。
• 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。
• Piperidine derivatives
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0494717A1

  公开（公告）日：1992-07-15

  The invention provides piperidine derivatives of the general formula or an acid-addition salt thereof, in which R represents an optionally substituted alkyl, cycloalkyl, aryl or heterocyclyl group; R¹ represents an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, aryl or heterocyclyl group; m represents an integer from 0 to 3; and each of R² and R³ is independently selected from a group consisting of hydrogen atoms, alkyl and phenyl groups; with the proviso that R does not represent a 4-tert-butylphenyl group; processes for their preparation; compositions containing such compounds and their use as fungicides.

  本发明提供通式如下的哌啶衍生物 或其酸加成盐，其中R代表任选取代的烷基、环烷基、芳基或杂环基；R¹代表任选取代的烷基、烯基、炔基、环烷基、芳基或杂环基；m代表0至3的整数；R²和R³各自独立地选自由氢原子、烷基和苯基组成的组；但R不代表4-叔丁基苯基；其制备工艺；含有此类化合物的组合物及其作为杀菌剂的用途。