tert-butyl N-[1-(3-fluoro-4-formylphenyl)piperidin-4-yl]carbamate | 1374859-17-2

• 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: tert-butyl N-[1-(3-fluoro-4-formylphenyl)piperidin-4-yl]carbamate
• CAS: 1374859-17-2
• 化学式: C₁₇H₂₃FN₂O₃
• 分子量: 322.38
• InChiKey: OESUQMMBUSYVHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-amino-3-cyclohexyl-1,2-thiazole-4-carboxamide 、 tert-butyl N-[1-(3-fluoro-4-formylphenyl)piperidin-4-yl]carbamate 在 碘 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 1.0h， 生成 tert-butyl (1-(4-(3-cyclohexyl-4-oxo-4,5-dihydroisothiazolo[5,4-d]pyrimidin-6-yl)-3-fluorophenyl)piperidin-4-yl)carbamate
  参考文献：
  名称：

  Isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors: SAR and pharmacokinetic evaluation

  摘要：

  The synthesis and structure-activity relationship studies of isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors are discussed. The pharmacokinetic profile of 10 and 21 with adequate CNS penetration, required for in vivo Parkinson's disease models, are disclosed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.025
• 作为产物：
  描述：

  2,4-二氟苯甲醛 、 4-叔丁氧羰基氨基哌啶 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 tert-butyl N-[1-(3-fluoro-4-formylphenyl)piperidin-4-yl]carbamate
  参考文献：
  名称：

  Isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors: SAR and pharmacokinetic evaluation

  摘要：

  The synthesis and structure-activity relationship studies of isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors are discussed. The pharmacokinetic profile of 10 and 21 with adequate CNS penetration, required for in vivo Parkinson's disease models, are disclosed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.025

文献信息

• [EN] TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT<br/>[FR] COMPOSÉS TRICYCLIQUES ET TÉTRACYCLIQUES DE PYRAZOLO[3,4-B]PYRIDINE EN TANT QU'AGENT ANTINÉOPLASIQUE
  申请人：PF MEDICAMENT

  公开号：WO2012140114A1

  公开（公告）日：2012-10-18

  The present invention relates to compounds of following general formula (I): and to the pharmaceutically acceptable salts of same, the tautomers of same, the stereoisomers or mixture of stereoisomers in any proportions of same, such as a mixture of enantiomers, notably a racemic mixture, as well as to methods for preparing same and uses of same, notably as an antineoplastic agent.

  本发明涉及以下一般式（I）的化合物，以及同一化合物的药用可接受盐，同分异构体，立体异构体或同分异构体的混合物，例如对映体混合物，尤其是消旋混合物，以及制备同一化合物的方法和用途，尤其是作为抗肿瘤剂。
• Isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors: SAR and pharmacokinetic evaluation
  作者：Abhisek Banerjee、Pravin S. Yadav、Malini Bajpai、Ramachandra Rao Sangana、Srinivas Gullapalli、Girish S. Gudi、Laxmikant A. Gharat

  DOI：10.1016/j.bmcl.2012.03.025

  日期：2012.5

  The synthesis and structure-activity relationship studies of isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors are discussed. The pharmacokinetic profile of 10 and 21 with adequate CNS penetration, required for in vivo Parkinson's disease models, are disclosed. (C) 2012 Elsevier Ltd. All rights reserved.