5-methyl-isoxazole-3-carbonyl azide | 61672-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-isoxazole-3-carbonyl azide
• 英文别名: 5-Methyl-isoxazol-3-carbonylazid；5-methylisoxazole-3-carbonyl azide；5-Methyl-1,2-oxazole-3-carbonyl azide
• CAS: 61672-67-1
• 化学式: C₅H₄N₄O₂
• 分子量: 152.112
• InChiKey: UIHRXBNYNLPLIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  57.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methyl-isoxazole-3-carbonyl azide 在 三氯氧磷 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 2-(5-甲基-1,2-恶唑-3-基)-5-苯基-1,3,4-恶二唑
  参考文献：
  名称：

  Sridevi; Rao; Reddy, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 2, p. 182 - 183

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基异恶唑-3-羰酰氯 在 sodium azide 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 以92%的产率得到5-methyl-isoxazole-3-carbonyl azide
  参考文献：
  名称：

  Positive allosteric modulators of the nicotinic acetylcholine receptor

  摘要：

  这项发明提供了I式化合物： 这些化合物可以是药用盐或组合物的形式，可以是纯对映体形式或混合物，对治疗已知涉及α7 nAChR的疾病或症状的药物非常有用。

  公开号：

  US20030236287A1

文献信息

• Novel Tetrahydropyrido[1,2-<i>a</i>]isoindolone Derivatives (Valmerins): Potent Cyclin-Dependent Kinase/Glycogen Synthase Kinase 3 Inhibitors with Antiproliferative Activities and Antitumor Effects in Human Tumor Xenografts
  作者：Rajâa Boulahjar、Aziz Ouach、Chiurato Matteo、Stephane Bourg、Myriam Ravache、Rémy le Guével、Séverine Marionneau、Thibauld Oullier、Olivier Lozach、Laurent Meijer、Christiane Guguen-Guillouzo、Saïd Lazar、Mohamed Akssira、Yves Troin、Gérald Guillaumet、Sylvain Routier

  DOI：10.1021/jm3008536

  日期：2012.11.26

  The development of CDK and GSK3 inhibitors has been regarded as a potential therapeutic approach, and a substantial number-of-diverse structures have been reported to inhibit CDKs and GSK-3 beta. in recent years. Only a few molecules have gone through or are currently undergoing clinical trials as CDK and GSK inhibitors. In this paper, we prepared valmerins, a new family containing the tetrahydropyrido[1,2-a]isoindone core. The fused heterocycle was prepared with a straightforward synthesis that was functionalized by a (het)arylurea. Twelve valmerins inhibited the CDK5 and GSK3 with an IC50 < 100 nM. A semiquantitative kinase scoring was realized, and a cellular screening was done. At the end of study, we investigated the in vivo potency of one valmerin. Mice exhibited good tolerance to our lead, which proved its efficacy and clearly blocked tumor growth. Valmerins appear also as good candidates: for further development as anticancer agents.
• Freri, Gazzetta Chimica Italiana, 1932, vol. 62, p. 457,461
  作者：Freri

  DOI：——

  日期：——
• Kano; Ogata, Shionogi Kenkyusho Nenpo, 1957, # 7, p. 301,304
  作者：Kano、Ogata

  DOI：——

  日期：——
• SRIDEVI, G.;RAO, JAYAPRASAD P.;REDDY, K. KONDAL, INDIAN. J. CHEM. B , 29,(1990) N, C. 182-183
  作者：SRIDEVI, G.、RAO, JAYAPRASAD P.、REDDY, K. KONDAL

  DOI：——

  日期：——