butyl bromopyruvate | 501104-26-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: butyl bromopyruvate
• 英文别名: bromo-pyruvic acid butyl ester；Brom-brenztraubensaeure-butylester；n-butyl bromopyruvate；Butyl 3-bromo-2-oxopropanoate
• CAS: 501104-26-3
• 化学式: C₇H₁₁BrO₃
• 分子量: 223.067
• InChiKey: HTHNEFPCPFIREV-UHFFFAOYSA-N

物化性质

• 沸点：
  239.1±23.0 °C(Predicted)
• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  butyl bromopyruvate 在 乙酸乙酯 、 锌 作用下， 生成 2,5-bis-benzoyloxy-hexa-2t,4t-dienedioic acid dibutyl ester
  参考文献：
  名称：

  Elastic Properties of Model Porous Ceramics

  摘要：

  The finite‐element method (FEM) is used to study the influence of porosity and pore shape on the elastic properties of model porous ceramics. Young's modulus of each model is practically independent of the solid Poisson's ratio. At a sufficiently high porosity, Poisson's ratio of the porous models converges to a fixed value independent of the solid Poisson's ratio. Young's modulus of the models is in good agreement with experimental data. We provide simple formulas that can be used to predict the elastic properties of ceramics and allow the accurate interpretation of empirical property–porosity relations in terms of pore shape and structure.

  DOI：

  10.1111/j.1151-2916.2000.tb01680.x
• 作为产物：
  描述：

  丙酮酸丁酯 在 吡啶 、 溴 作用下， 生成 butyl bromopyruvate
  参考文献：
  名称：

  Elastic Properties of Model Porous Ceramics

  摘要：

  The finite‐element method (FEM) is used to study the influence of porosity and pore shape on the elastic properties of model porous ceramics. Young's modulus of each model is practically independent of the solid Poisson's ratio. At a sufficiently high porosity, Poisson's ratio of the porous models converges to a fixed value independent of the solid Poisson's ratio. Young's modulus of the models is in good agreement with experimental data. We provide simple formulas that can be used to predict the elastic properties of ceramics and allow the accurate interpretation of empirical property–porosity relations in terms of pore shape and structure.

  DOI：

  10.1111/j.1151-2916.2000.tb01680.x

文献信息

• Derivatives of glycolic and glyoxylic acid as inhibitors of glycolic
  申请人：Merck & Co., Inc.

  公开号：US04207329A1

  公开（公告）日：1980-06-10

  Novel derivatives of glycolic and glyoxylic acid are disclosed which inhibit glycolic acid oxidase and thus are useful in the treatment and prevention of calcium oxalate urolithiasis (calcium oxalate kidney and bladder stone disease).

  本发明揭示了新型的乙醇酸和甘氧酸衍生物，其抑制乙醇酸氧化酶的活性，因此在治疗和预防草酸钙结石（草酸钙肾和膀胱结石病）方面具有用途。
• Discovery of XL335 (WAY-362450), a Highly Potent, Selective, and Orally Active Agonist of the Farnesoid X Receptor (FXR)
  作者：Brenton Flatt、Richard Martin、Tie-Lin Wang、Paige Mahaney、Brett Murphy、Xiao-Hui Gu、Paul Foster、Jiali Li、Parinaz Pircher、Mary Petrowski、Ira Schulman、Stefan Westin、Jay Wrobel、Grace Yan、Eric Bischoff、Chris Daige、Raju Mohan

  DOI：10.1021/jm8014124

  日期：2009.2.26

  Azepino[4,5-b]indoles have been identified as potent agonists of the farnesoid X receptor (FXR). In vitro and in vivo optimization has led to the discovery of 6m (XL335, WAY-362450) as a potent, selective, and orally bioavailable FXR agonist (EC(50) = 4 nM, Eff = 149%). Oral administration of 6m to LDLR(-/-) mice results in lowering of cholesterol and triglycerides. Chronic administration in an atherosclerosis model results in significant reduction in aortic arch lesions.
• US4207329A
  申请人：——

  公开号：US4207329A

  公开（公告）日：1980-06-10
• US4233452A
  申请人：——

  公开号：US4233452A

  公开（公告）日：1980-11-11
• Elastic Properties of Model Porous Ceramics
  作者：Anthony P. Roberts、Edward J. Garboczi

  DOI：10.1111/j.1151-2916.2000.tb01680.x

  日期：2000.12

  The finite‐element method (FEM) is used to study the influence of porosity and pore shape on the elastic properties of model porous ceramics. Young's modulus of each model is practically independent of the solid Poisson's ratio. At a sufficiently high porosity, Poisson's ratio of the porous models converges to a fixed value independent of the solid Poisson's ratio. Young's modulus of the models is in good agreement with experimental data. We provide simple formulas that can be used to predict the elastic properties of ceramics and allow the accurate interpretation of empirical property–porosity relations in terms of pore shape and structure.