6-amino-2-n-propyl hexanoic acid | 4751-72-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-amino-2-n-propyl hexanoic acid
• 英文别名: 4-aminomethyl valproic acid；6-amino-2-n-propylhexanoic acid；6-amino-2-propyl-hexanoic acid；6-azaniumyl-2-propylhexanoate
• CAS: 4751-72-8
• 化学式: C₉H₁₉NO₂
• mdl: MFCD00491392
• 分子量: 173.255
• InChiKey: UGFGCJUZRJTFST-UHFFFAOYSA-N

物化性质

• 熔点：
  198-200 °C
• 沸点：
  294.7±23.0 °C(Predicted)
• 密度：
  0.985±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-amino-2-n-propyl hexanoic acid 、 吖啶酯标记物 在 碳酸氢钠 作用下， 以 DMF (N,N-dimethyl-formamide) 、 水 为溶剂， 反应 18.0h， 生成 3-[9-({(3-carboxypropyl)[(4-methylphenyl) sulfonyl] amino}carbonyl)-10-acridiniumyl]-1-propanesulfonate-valproate
  参考文献：
  名称：

  Novel applications of acridinium compounds and derivatives in homogeneous assays

  摘要：

  公开号：

  EP1403254B1
• 作为产物：
  描述：

  丙基丙二酸二乙酯 在 盐酸 、 sodium hydride 、 肼 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.67h， 生成 6-amino-2-n-propyl hexanoic acid
  参考文献：
  名称：

  Methodology for the manufacturable synthesis of valproic acid conjugates

  摘要：

  An efficient synthesis of a chemiluminescent valproic acid conjugate is described. Reaction of diethyl propylmalonate with 4-bromobutylphthalimide produced an amino protected malonate, which was deprotected with hydrazine and treated with HCl to produce an aminoderivatized valproic acid. Reaction with an acridinium active ester produced the conjugate in good yield. Careful selection of commercially available materials and mild conditions made this pathway amenable to scale up. This strategy offers a general method for the preparation of valproic acid conjugates. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.109

文献信息

• Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20030105111A1

  公开（公告）日：2003-06-05

  The present invention is directed to a compound of Formula I: 1 wherein A, R 1 , and R 2 are defined herein. The present invention is also directed to compositions comprising compounds of Formula I, methods of using compounds of Formula I, and methods of making compounds of Formula I.

  本发明涉及一种具有以下结构的化合物：其中A、R1和R2在此处被定义。本发明还涉及包含Formula I化合物的组合物、使用Formula I化合物的方法以及制备Formula I化合物的方法。
• Valproic acid immunogen conjugates and antibodies thereto
  申请人：Miles Laboratories, Inc.

  公开号：US04261974A1

  公开（公告）日：1981-04-14

  Reagents for use in binding assays, particularly immunoassays, to determine valproic acid in liquid media such as serum. Such reagents include antibody to valproic acid and .beta.-galactosyl-umbelliferone-valproic acid conjugates. Also provided are compounds used to prepare such reagents, including valproic acid immunogen conjugates and intermediates in the synthesis of such immunogen conjugates and .beta.-galactosyl-umbelliferone-labeled conjugates.

  用于结合测定的试剂，特别是免疫测定，用于确定液体介质（如血清）中的丙戊酸。这些试剂包括丙戊酸抗体和β-半乳糖苷基芹菜素丙戊酸共轭物。还提供用于制备这些试剂的化合物，包括丙戊酸免疫原共轭物和合成这种免疫原共轭物和β-半乳糖苷基芹菜素标记共轭物的中间体。
• .beta.Galactosyl-umbelliferone valproic acid conjugates
  申请人：Miles Laboratories, Inc.

  公开号：US04292425A1

  公开（公告）日：1981-09-29

  Reagents for use in binding assays, particularly immunoassays, to determine valproic acid in liquid media such as serum. Such reagents include antibody to valproic acid and .beta.-galactosyl-umbelliferone-valproic acid conjugates. Also provided are compounds used to prepare such reagents, including valproic acid immunogen conjugates and intermediates in the synthesis of such immunogen conjugates and .beta.-galactosyl-umbelliferone-labeled conjugates.

  本发明涉及用于结合测定的试剂，特别是用于测定液体介质（如血清）中的丙戊酸的免疫测定。这些试剂包括丙戊酸抗体和β-半乳糖苦杏仁酸-丙戊酸结合物。还提供用于制备这些试剂的化合物，包括丙戊酸免疫原结合物和用于合成这些免疫原结合物和β-半乳糖苦杏仁酸标记结合物的中间体。
• Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays
  申请人：Natrajan Anand A.

  公开号：US20090029349A1

  公开（公告）日：2009-01-29

  Chemiluminescent acridinium compounds are used in homogeneous assays to determine the concentration of an analyte in a sample without strong acid or strong base treatment. The chemiluminescent acridinium compounds include acridinium esters with electron donating functional groups at the C2 and/or C7 position on the acridinium nucleus to inhibit pseudo-base formation, or acridinium sulfonamides with or without electron donating functional groups at the C2 and/or C7 position on the acridinium nucleus.

  化学发光的吖啶化合物被用于均相分析中，以测定样品中分析物的浓度，而无需使用强酸或强碱处理。这些化学发光的吖啶化合物包括在吖啶核上具有电子供体官能团的吖啶酯，以抑制伪碱的形成，或在吖啶核上具有或不具有电子供体官能团的吖啶磺酰胺。
• Valproic acid conjugates and antibodies thereto
  申请人：MILES LABORATORIES, INC.

  公开号：EP0028795A2

  公开（公告）日：1981-05-20

  Reagents for use in binding assays, particularly immunoassays, to determine valproic acid in liquid media such as serum. Such reagents include antibody to valproic acid and β-galactosyl-umbelliferone- valproic acid conjugates. Also provided are compounds used to prepare such reagents, including valproic acid immunogen conjugates and intermediates in the synthesis of such immunogen conjugates and β-galactosyl-umbelliferone-labeled conjugates.

  用于测定血清等液体介质中丙戊酸的结合测定，特别是免疫测定的试剂。此类试剂包括丙戊酸抗体和 β-半乳糖基-伞形酮-丙戊酸共轭物。还提供了用于制备此类试剂的化合物，包括丙戊酸免疫原轭合物和合成此类免疫原轭合物及β-半乳糖基-伞形酮标记轭合物的中间体。