双(对氟苯基)(4-哌啶基)甲醇盐酸盐 | 60284-99-3

• 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: 双(对氟苯基)(4-哌啶基)甲醇盐酸盐
• 英文名称: bis (p-fluorophenyl)(4-piperidyl)methanol hydrochloride
• 英文别名: bis(4-fluorophenyl)(piperidin-4-yl)methanol hydrochloride；[α,α-bis(4-fluorophenyl)]-4-piperidinemethanol hydrochloride；[alpha,alpha-Bis(4-fluorophenyl)]-4-piperidinemethanol hydrochloride；bis(4-fluorophenyl)-piperidin-4-ylmethanol;hydrochloride
• CAS: 60284-99-3
• 化学式: C₁₈H₁₉F₂NO*ClH
• 分子量: 339.813
• InChiKey: XBNVQLZVKSNVPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.62
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  32.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  双(对氟苯基)(4-哌啶基)甲醇盐酸盐 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 4-[双(4-氟苯基)甲基]哌啶
  参考文献：
  名称：

  New xanthine derivatives with potent and long lasting anti-bronchoconstrictive activity

  摘要：

  DOI：

  10.1016/0223-5234(87)90056-0
• 作为产物：
  描述：

  tert-butyl 4-(bis(4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate 在 盐酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 12.0h， 以60%的产率得到双(对氟苯基)(4-哌啶基)甲醇盐酸盐
  参考文献：
  名称：

  Development of Fluorine-18 Labeled Metabolically Activated Tracers for Imaging of Drug Efflux Transporters with Positron Emission Tomography

  摘要：

  Increased activity of efflux transporters, e.g., P-glycoprotein (P-gp) and breast cancer resistance protein (BCRP), at the blood brain barrier is a pathological hallmark of many neurological diseases, and the resulting multiple drug resistance represents a major clinical challenge. Noninvasive imaging of transporter activity can help to clarify the underlying mechanisms of drug resistance and facilitate diagnosis, patient stratification, and treatment monitoring. We have developed a metabolically activated radiotracer for functional imaging of P-gp/BCRP activity with positron emission tomography (PET). In preclinical studies, the tracer showed excellent initial brain uptake and clean conversion to the desired metabolite, although at a sluggish rate. Blocking with P-gp/BCRP modulators led to increased levels of brain radioactivity; however, dynamic PET did not show differential clearance rates between treatment and control groups. Our results provide proof-of-concept for development of prodrug tracers for imaging of P- /BCRP function in vivo but also highlight some challenges associated with this strategy.

  DOI：

  10.1021/acs.jmedchem.5b00652

文献信息

• Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl)
  申请人：A. H. Robins Company, Incorporated

  公开号：US05070087A1

  公开（公告）日：1991-12-03

  A method of treating cardiac dysfunction, the effects of histamine, and gastric secretion excesses with aryl(alkyl and alkylene)-N-[(phenoxy and phenythio)alkyl]aminoheterocyclics corresponding to the formula: ##STR1## wherein Ar is phenyl or substituted phenyl; R is phenyl, substituted phenyl, pyridinyl or cycloalkyl; A is hydrogen, hydroxy, cyano, amido and amino; Q is --CH.sub.2 --, --CH--, or --CHOH--; d and n are zero or one and the dotted lines form double bonds consistent with the valence of carbon; p is zero, one or two; m is one to six inclusive; B is oxygen, nitrogen, sulfur, sulfinyl or sulfonyl; z is zero or one; l is zero or one; W is hydrogen, loweralkyl, halo, nitro, loweralkoxy or hydroxy; X is hydrogen, loweralkyl, halogen, loweralkoxy or hydroxy; Y is --CH(OH)CH.sub.2 OH, --CH(OH)C(O)OH, --C(O)C(O)OH, --C(O)CH.sub.2 OH,--C(O)C(O)OCH.sub.3, --C(O)C(O)OC.sub.2 H.sub.5, --CH.sub.2 C(O)OC.sub.2 H.sub.5, --CH(OH)C(O)OCH.sub.3, --CH(OH)C(O)OC.sub.2 H.sub.5 or --C(O)CH.sub.2 OC(O)CH.sub.3 ; and the pharmaceutically acceptable salts thereof; in addition to the above methods of treatment, compounds wherein (B).sub.z is oxygen are useful in a method of treating Gell and Coombs type 1 allergic responses in mammals.

  一种治疗心脏功能障碍、组胺作用和胃分泌过多的方法，使用与以下公式对应的芳基（烷基和烷基烯）-N-[(苯氧基和苯硫基)烷基]氨基杂环化合物：其中Ar为苯基或取代苯基；R为苯基、取代苯基、吡啶基或环烷基；A为氢、羟基、氰基、酰胺基和氨基；Q为--CH.sub.2 --、--CH--或--CHOH--；d和n为零或一，虚线表示双键，符合碳的价；p为零、一或二；m为一至六的整数；B为氧、氮、硫、亚砜基或砜基；z为零或一；l为零或一；W为氢、低烷基、卤素、硝基、低烷氧基或羟基；X为氢、低烷基、卤素、低烷氧基或羟基；Y为--CH(OH)CH.sub.2 OH、--CH(OH)C(O)OH、--C(O)C(O)OH、--C(O)CH.sub.2 OH、--C(O)C(O)OCH.sub.3、--C(O)C(O)OC.sub.2 H.sub.5、--CH.sub.2 C(O)OC.sub.2 H.sub.5、--CH(OH)C(O)OCH.sub.3、--CH(OH)C(O)OC.sub.2 H.sub.5或--C(O)CH.sub.2 OC(O)CH.sub.3；及其药用盐；除上述治疗方法外，其中（B）.sub.z为氧的化合物在治疗哺乳动物的Gell和Coombs第1型过敏反应中是有用的。
• REGNIER, G. L.;SAINT-ROMAS, C. G.;DUHAULT, J. L.;TISSERAND, F. P.;SAINT-R+, EUR. J. MED. CHEM., 22,(1987) N 3, 243-250
  作者：REGNIER, G. L.、SAINT-ROMAS, C. G.、DUHAULT, J. L.、TISSERAND, F. P.、SAINT-R+

  DOI：——

  日期：——
• US5070087A
  申请人：——

  公开号：US5070087A

  公开（公告）日：1991-12-03