4-[1,1'-Biphenyl]-4-YL-4-piperidinol | 137884-47-0

• 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: 4-[1,1'-Biphenyl]-4-YL-4-piperidinol
• 英文别名: 4-(4-phenylphenyl)piperidin-4-ol
• CAS: 137884-47-0
• 化学式: C₁₇H₁₉NO
• mdl: MFCD10565845
• 分子量: 253.344
• InChiKey: REUFEAYWUYVNKD-UHFFFAOYSA-N

物化性质

• 沸点：
  429.2±45.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 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：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[1,1'-Biphenyl]-4-YL-4-piperidinol 、 芦竹碱 在 吡啶 作用下， 生成 4-([1,1'-Biphenyl]-4-yl)-1-[(1H-indol-3-yl)methyl]piperidin-4-ol
  参考文献：
  名称：

  Analogues of the dopamine D2 receptor antagonist L741,626: Binding, function, and SAR

  摘要：

  A series of analogues of the dopamine D2 receptor antagonist L741,626 were synthesized and evaluated for binding and function at D2 family receptor subtypes. Several analogues showed comparable binding profiles to the parent ligand, however, in general, chemical modification served to reduce D2 binding affinity and selectivity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.076

文献信息

• Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient
  申请人：EGIS GYOGYSZERGYAR

  公开号：US20040186170A1

  公开（公告）日：2004-09-23

  The present invention is a piperazinylalkylbenzofuran derivative of the formula 1 wherein R 1 represents a C1-4 alkyl group, R 2 stands for a hydrogen atom, X means an oxygen atom, Y is a hydroxyl group, Z represents a hydrogen atom, Ar′ represents a diphenylmethyl group, a pyridyl group, a partially saturated 5-membered heterocyclic group or a phenyl group, n has a value of 0 or 1, and pharmaceutically suitable acid addition salts thereof.

  该发明涉及一种化合物，为一种哌嗪基烷基苯并呋喃衍生物，其化学式为1，其中R1代表一个C1-4烷基基团，R2代表一个氢原子，X代表一个氧原子，Y代表一个羟基，Z代表一个氢原子，Ar′代表一个二苯甲基基团、一个吡啶基、一个部分饱和的5-成员杂环基团或一个苯基，n的值为0或1，并且其药学上适宜的酸盐。
• Drug Repurposing of Haloperidol: Discovery of New Benzocyclane Derivatives as Potent Antifungal Agents against Cryptococcosis and Candidiasis
  作者：Changjin Ji、Na Liu、Jie Tu、Zhuang Li、Guiyan Han、Jian Li、Chunquan Sheng

  DOI：10.1021/acsinfecdis.9b00197

  日期：2020.5.8

  fungal infections (IFIs), effective and safe antifungal agents are rather limited. Starting from antifungal lead compound haloperidol that was identified by drug repurposing, a series of novel benzocyclane derivatives were designed, synthesized, and assayed. Several compounds showed improved antifungal potency and broader antifungal spectra. Particularly, compound B10 showed good inhibitory activities against

  尽管侵入性真菌感染（IFI）的发病率和死亡率很高，但是有效和安全的抗真菌剂仍然受到限制。从通过药物再利用确定的抗真菌先导化合物氟哌啶醇开始，设计，合成和分析了一系列新型苯并环烷衍生物。几种化合物显示出提高的抗真菌效力和更宽的抗真菌谱。特别地，化合物B10显示出对多种真菌病原体的良好抑制活性，并且被证明是对药物抗性重要的几种毒力因子的抑制剂。在体内隐球菌病和念珠菌病模型中，化合物B10可以有效减轻新型隐球菌的脑真菌负担，并与氟康唑协同治疗耐药性白色念珠菌感染。初步的抗真菌机制研究表明，与氟康唑联合使用时，化合物B10恢复了细胞膜损伤并下调了ERG11和MDR1基因的过表达。总之，氟哌啶醇衍生物B10是开发新一代抗真菌剂的有前途的先导化合物。
• 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。
• Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same
  申请人：——

  公开号：US20030130312A1

  公开（公告）日：2003-07-10

  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 Ca 2+ overload suppressant, containing an arylpiperidinol or arylpiperidine derivative having the formula (I): 1 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(CH 2 ) 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 alkoxy, or an alkyl 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以及癫痫发作、癫痫和偏头痛引起的症状的药物组合物，以及一种 Ca 2&plus； 过载抑制剂，含有具有式（I）的芳基哌啶醇或芳基哌啶衍生物： 1 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 或烷氧取代的烷基或 -NHCO(CH 2 ) n - 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、烷氧基或任选被卤素取代的烷基。
• Identification of novel series of human CCR1 antagonists
  作者：Yun Feng Xie、Ila Sircar、Kirk Lake、Mallareddy Komandla、Kathleen Ligsay、Jian Li、Kui Xu、Jason Parise、Lisa Schneider、Dingqiu Huang、Juping Liu、Naoki Sakurai、Miguel Barbosa、Rick Jack

  DOI：10.1016/j.bmcl.2007.09.068

  日期：2008.3

  A hit-to-lead optimization process was carried out on the high throughput screening hit compound 1 resulting in the identification of several potent and selective CCR1 receptor antagonists. Compound 37 shows the best overall profile with IC50 values of < 100 nM in binding and functional assays. (C) 2008 Published by Elsevier Ltd.