4-piperidinyl 2-hydroxy-2,2-diphenylacetate hydrochloride | 60573-79-7

• 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-piperidinyl 2-hydroxy-2,2-diphenylacetate hydrochloride
• 英文别名: piperidin-4-yl 2-hydroxy-2,2-diphenylacetate;hydrochloride
• CAS: 60573-79-7
• 化学式: C₁₉H₂₁NO₃*ClH
• 分子量: 347.842
• InChiKey: GBLSLTHDOABAOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  58.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-piperidinyl 2-hydroxy-2,2-diphenylacetate hydrochloride 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 2.0h， 生成 4-piperidinyl 2-chloro-2,2-diphenylacetate hydrochloride
  参考文献：
  名称：

  NOVEL FLUORINATED BENZILIC ACID ESTER COMPOUND AND SALT THEREOF

  摘要：

  公开了一种由以下式(I)表示的苯甲酸苄酯化合物或其盐，其中R代表可选择取代的氟化较低烷基。

  公开号：

  US20160115129A1
• 作为产物：
  描述：

  Benzilsaeure(1-benzylpiperid-4-yl)ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 4.0h， 以93%的产率得到4-piperidinyl 2-hydroxy-2,2-diphenylacetate hydrochloride
  参考文献：
  名称：

  Scheithauer, Pharmazie, 1988, vol. 43, # 2, p. 86 - 90

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS WITH BETA-ADRENERGIC AGONIST AND ANTIMUSCARINIC ACTIVITY<br/>[FR] COMPOSÉS AYANT UN AGONISTE BÊTA-ADRÉNERGIQUE ET UNE ACTIVITÉ ANTIMUSCARINIQUE
  申请人：TORRENT PHARMACEUTICALS LTD

  公开号：WO2018150347A1

  公开（公告）日：2018-08-23

  The present invention relates to novel compounds of formula (I), its pharmaceutically acceptable salts, and isomers, stereoisomers, atropisomers, conformers, tautomers, atropisomers, polymorphs, hydrates, solvates, N-oxide or S-oxide thereof. The present invention also relates to pharmaceutically acceptable compositions and process for preparing said compounds. The invention further relates to the use of the above-mentioned compounds for the preparation of medicament for use as pharmaceuticals.

  本发明涉及式（I）的新化合物，其药学上可接受的盐、异构体、立体异构体、对映异构体、构象异构体、互变异构体、多晶形、水合物、溶剂合物、N-氧化物或S-氧化物。本发明还涉及药学上可接受的组合物和制备上述化合物的方法。本发明进一步涉及上述化合物的用途，用于制备作为药品的药物。
• NOVEL ACETIC ACID ESTER COMPOUND OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US20140371270A1

  公开（公告）日：2014-12-18

  An acetic acid ester compound represented by the following formula (I) or a salt thereof, wherein R represents optionally substituted deuterated lower alkyl, is disclosed.

  公开了一种由以下式(I)表示的乙酸酯化合物或其盐，其中R代表可选择取代的氘代低级烷基。
• Synthesis, ¹⁸F-Labeling, and Biological Evaluation of Piperidyl and Pyrrolidyl Benzilates as in Vivo Ligands for Muscarinic Acetylcholine Receptors
  作者：Marc B. Skaddan、Michael R. Kilbourn、Scott E. Snyder、Phil S. Sherman、Tim J. Desmond、Kirk A. Frey

  DOI：10.1021/jm000305o

  日期：2000.11.1

  A series of 31 compounds based on the piperidyl or pyrrolidyl benzilate scaffold were prepared from methyl benzilate and 4-piperidinol, (R)-(+)-3-piperidinol, or (R)-(+)-3-pyrrolidinol. Amine substituents included alkyl and aralkyl groups. In vitro K-i values ranged from 0.05 nM to > 100 nM. (R)-N-( 2-Fluoroethyl)-3-piperidyl benzilate (3-FEPB, 22, K-i = 12.1 nM) and N-(2-fluoroethyl)-4-piperidyl benzilate (4-FEPB, 8, K-i = 1.83 nM) were selected for radiolabeling with fluorine-18. Using alkylation with 2-[F-18]fluoroethyl triflate, 3-[F-18]FEPB (42) and 4-[F-18]-FEPB (43) were produced in 7-9% radiochemical yield and >97% radiochemical purity. For in vivo studies, retention was moderate in mouse brain for 42; however, blocking with scopolamine showed that uptake was not muscarinic cholinergic receptor-mediated. Conversely, 43 exhibited high, receptor-mediated retention in mouse brain, with significant; clearance after 1 h. These results suggest that 43 could have applications as an in vivo probe for measuring endogenous acetylcholine levels.
• SCHEITHAUER, S., PHARMAZIE, 43,(1988) N 2, 86-90
  作者：SCHEITHAUER, S.

  DOI：——

  日期：——
• Design, Synthesis, and Evaluation of Lung-Retentive Prodrugs for Extending the Lung Tissue Retention of Inhaled Drugs
  作者：Jack Ayre、Joanna M. Redmond、Giovanni Vitulli、Laura Tomlinson、Richard Weaver、Eleonora Comeo、Cynthia Bosquillon、Michael J. Stocks

  DOI：10.1021/acs.jmedchem.2c00416

  日期：2022.7.28