tert-butyl 4-(2-(methylthio)pyrimidin-5-yl)-3,6-dihydropyridine-1(2H)-carboxylate | 188878-23-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: tert-butyl 4-(2-(methylthio)pyrimidin-5-yl)-3,6-dihydropyridine-1(2H)-carboxylate
• 英文别名: tert-butyl 4-(2-methylsulfanylpyrimidin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• CAS: 188878-23-1
• 化学式: C₁₅H₂₁N₃O₂S
• 分子量: 307.417
• InChiKey: DLFUIVGYDDMRJG-UHFFFAOYSA-N

物化性质

• 沸点：
  443.8±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-(methylthio)pyrimidin-5-yl)-3,6-dihydropyridine-1(2H)-carboxylate 在 硼烷四氢呋喃络合物 、 双氧水 、 sodium hydride 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  Piperidine-renin inhibitors compounds with improved physicochemical properties

  摘要：

  Piperidine renin inhibitors with heterocyclic core modifications or hydrophilic attachments show improved physical properties (lower lipophilicity, improved solubility). Tetrahydroquinoline derivative rac-30 with a molecular weight of 517 and a log D(pH 7.4) of 1.9 displays potent and long lasting blood pressure lowering effects after oral administration to sodium depleted conscious marmosets. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00196-1
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 四(三苯基膦)钯 、 2,6-二叔丁基-4-甲基苯酚 、 六甲基二锡 、 lithium chloride 、 lithium diisopropyl amide 作用下， 生成 tert-butyl 4-(2-(methylthio)pyrimidin-5-yl)-3,6-dihydropyridine-1(2H)-carboxylate
  参考文献：
  名称：

  Piperidine-renin inhibitors compounds with improved physicochemical properties

  摘要：

  Piperidine renin inhibitors with heterocyclic core modifications or hydrophilic attachments show improved physical properties (lower lipophilicity, improved solubility). Tetrahydroquinoline derivative rac-30 with a molecular weight of 517 and a log D(pH 7.4) of 1.9 displays potent and long lasting blood pressure lowering effects after oral administration to sodium depleted conscious marmosets. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00196-1

文献信息

• Methods of treating alzheimer's disease
  申请人：Nieman A. James

  公开号：US20060079533A1

  公开（公告）日：2006-04-13

  Disclosed are methods for treating Alzheimer's disease, and other diseases, and/or inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of 3,4-disubstituted piperidinyl compounds of formula (I) wherein the variables R 1 , R 2 , R 3 , R 4 , Q, W, X, Z, m, and n are defined herein.

  本发明公开了一种治疗阿尔茨海默病和其他疾病、抑制β-分泌酶酶和/或抑制哺乳动物中A beta肽沉积的方法，使用式(I)的3,4-二取代哌啶基化合物，其中变量R1、R2、R3、R4、Q、W、X、Z、m和n在此定义。
• US6051712A
  申请人：——

  公开号：US6051712A

  公开（公告）日：2000-04-18
• US6150526A
  申请人：——

  公开号：US6150526A

  公开（公告）日：2000-11-21
• [EN] METHODS OF TREATING ALZHEIMER'S DISEASE<br/>[FR] METHODES DE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：ELAN PHARM INC

  公开号：WO2002076440A2

  公开（公告）日：2002-10-03

  Disclosed are methods for treating Alzheimer's disease, and other diseases, and/or inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of 3,4-disubstituted piperidinyl compounds of formula (I) wherein the variables R?1, R2, R3, R4¿, Q, W, X, Z, m, and n are defined herein.
• Piperidine-renin inhibitors compounds with improved physicochemical properties
  作者：Rolf Güller、Alfred Binggeli、Volker Breu、Daniel Bur、Walter Fischli、Georges Hirth、Christian Jenny、Manfred Kansy、François Montavon、Marcel Müller、Christian Oefner、Heinz Stadler、Eric Vieira、Maurice Wilhelm、Wolfgang Wostl、Hans Peter Märki

  DOI：10.1016/s0960-894x(99)00196-1

  日期：1999.5

  Piperidine renin inhibitors with heterocyclic core modifications or hydrophilic attachments show improved physical properties (lower lipophilicity, improved solubility). Tetrahydroquinoline derivative rac-30 with a molecular weight of 517 and a log D(pH 7.4) of 1.9 displays potent and long lasting blood pressure lowering effects after oral administration to sodium depleted conscious marmosets. (C) 1999 Elsevier Science Ltd. All rights reserved.