((R)-1-methyl-2-tetrazol-2-ylethyl)carbamic acid tert-butyl ester | 1134102-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ((R)-1-methyl-2-tetrazol-2-ylethyl)carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2R)-1-(tetrazol-2-yl)propan-2-yl]carbamate
• CAS: 1134102-05-8
• 化学式: C₉H₁₇N₅O₂
• 分子量: 227.266
• InChiKey: QJPCOKAGHZWHFN-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ((R)-1-methyl-2-tetrazol-2-ylethyl)carbamic acid tert-butyl ester 在 乙酰氯 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (2R)-1-(2H-tetrazol-2-yl)propan-2-amine hydrochloride
  参考文献：
  名称：

  Discovery of 6-(2,4-Difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (Pamapimod) and 6-(2,4-Difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (R1487) as Orally Bioavailable and Highly Selective Inhibitors of p38α Mitogen-Activated Protein Kinase

  摘要：

  The development of a new series of p38 alpha inhibitors resulted in the identification of two clinical candidates, one of which was advanced into a phase 2 clinical study for rheumatoid arthritis. The original lead, an lck inhibitor that also potently inhibited p38a, was a screening hit from our kinase inhibitor library. This manuscript describes the optimization of the lead to p38-selective examples with good pharmacokinetic properties.

  DOI：

  10.1021/jm101423y
• 作为产物：
  描述：

  四氮唑 、 N-Boc-D-丙氨醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 17.0h， 生成 ((R)-1-methyl-2-tetrazol-2-ylethyl)carbamic acid tert-butyl ester
  参考文献：
  名称：

  Discovery of 6-(2,4-Difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (Pamapimod) and 6-(2,4-Difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (R1487) as Orally Bioavailable and Highly Selective Inhibitors of p38α Mitogen-Activated Protein Kinase

  摘要：

  The development of a new series of p38 alpha inhibitors resulted in the identification of two clinical candidates, one of which was advanced into a phase 2 clinical study for rheumatoid arthritis. The original lead, an lck inhibitor that also potently inhibited p38a, was a screening hit from our kinase inhibitor library. This manuscript describes the optimization of the lead to p38-selective examples with good pharmacokinetic properties.

  DOI：

  10.1021/jm101423y

文献信息

• [EN] 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES<br/>[FR] 1,2,3-TRIAZINE-4-ONES 3-SUBSTITUÉES ET 1,3-PYRIMIDINONES 3-SUBSTITUÉES POUR AMÉLIORER LES RÉPONSES SYNAPTIQUES GLUTAMATERGIQUES
  申请人：CORTEX PHARMA INC

  公开号：WO2009038752A3

  公开（公告）日：2009-07-09