(1-Methyl-2-oxo-butyl)-carbamic acid tert-butyl ester | 1334485-63-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1-Methyl-2-oxo-butyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-(3-oxopentan-2-yl)carbamate
• CAS: 1334485-63-0
• 化学式: C₁₀H₁₉NO₃
• 分子量: 201.266
• InChiKey: QBLRABZSWOBOIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-Methyl-2-oxo-butyl)-carbamic acid tert-butyl ester 在 盐酸 、 水 作用下， 以 乙酸乙酯 为溶剂， 生成 2-amino-3-pentanone
  参考文献：
  名称：

  Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity

  摘要：

  The synthesis and evaluation of a series of 2,4-diaminopyridine-based neuropeptide Y Y1 ( NPY Y1) receptor antagonists are described. Compound 1 was previously reported by our laboratory to be a potent and selective Y1 antagonist; however, 1 was also found to have potent hERG inhibitory activity. The main focus of this communication is structure-activity relationship development aimed at eliminating the hERG activity of 1. This resulted in the identification of compound 3d as a potent and selective NPY Y1 antagonist with reduced hERG liability. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.069
• 作为产物：
  描述：

  乙基溴化镁 、 (+/-)-tert-butyl (1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamate 以 四氢呋喃 为溶剂， 以88%的产率得到(1-Methyl-2-oxo-butyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity

  摘要：

  The synthesis and evaluation of a series of 2,4-diaminopyridine-based neuropeptide Y Y1 ( NPY Y1) receptor antagonists are described. Compound 1 was previously reported by our laboratory to be a potent and selective Y1 antagonist; however, 1 was also found to have potent hERG inhibitory activity. The main focus of this communication is structure-activity relationship development aimed at eliminating the hERG activity of 1. This resulted in the identification of compound 3d as a potent and selective NPY Y1 antagonist with reduced hERG liability. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.069

文献信息

• SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS
  申请人：Grewal Gurmit

  公开号：US20090111860A1

  公开（公告）日：2009-04-30

  The present invention relates to compounds of formula (I) that mediate Edg, including Edg-1, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant vascularization or inflammatory component such as in tumor-related diseases. The present invention also relates to compounds that inhibit a5bl, and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及公式（I）的化合物，其介导Edg，包括Edg-1，其制备方法，包含它们作为活性成分的制药组合物，它们作为药物的用途以及它们用于制造用于治疗具有显著血管化或炎症成分的疾病的药物，如肿瘤相关疾病。本发明还涉及抑制a5bl的化合物，以及对其他整合素具有适当选择性谱的化合物。
• [EN] SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE SULFONAMIDE POUVANT ÊTRE EMPLOYÉS EN TANT QUE MODULATEURS DE RÉCEPTEURS EDG
  申请人：ASTRAZENECA AB

  公开号：WO2007129019A1

  公开（公告）日：2007-11-15

  [EN] The present invention relates to compounds of formula (I) that mediate Edg, including Edg-1, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant vascularization or inflammatory component such as in tumor-related diseases. The present invention also relates to compounds that inhibit a5bl, and also that exhibit appropriate selectivity profile(s) against other integrins.
  [FR] La présente invention concerne des composés de formule (I) : qui modulent Edg, y compris Edg-1, ainsi que leurs procédés de synthèse, les compositions pharmaceutiques les comprenant au titre de principe actif, leur emploi en tant que médicaments et leur emploi dans la fabrication de médicaments destinés au traitement, chez des animaux à sang chaud tels que l'homme, de maladies faisant intervenir un composant vasculaire ou inflammatoire, par exemple des maladies tumorales. La présente invention concerne également des composés inhibant a5b1, et présentant un profil de sélectivité approprié vis-à-vis d'autres intégrines.
• Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity
  作者：Minoru Kameda、Kensuke Kobayashi、Hirokatsu Ito、Hiroshi Miyazoe、Toshiaki Tsujino、Chisato Nakama、Hiroshi Kawamoto、Makoto Ando、Sayaka Ito、Tomoki Suzuki、Tetsuya Kanno、Takeshi Tanaka、Yoshio Tahara、Takeshi Tani、Sachiko Tanaka、Shigeru Tokita、Nagaaki Sato

  DOI：10.1016/j.bmcl.2009.05.069

  日期：2009.8

  The synthesis and evaluation of a series of 2,4-diaminopyridine-based neuropeptide Y Y1 ( NPY Y1) receptor antagonists are described. Compound 1 was previously reported by our laboratory to be a potent and selective Y1 antagonist; however, 1 was also found to have potent hERG inhibitory activity. The main focus of this communication is structure-activity relationship development aimed at eliminating the hERG activity of 1. This resulted in the identification of compound 3d as a potent and selective NPY Y1 antagonist with reduced hERG liability. (C) 2009 Elsevier Ltd. All rights reserved.