(3-cyano-propyl)-phenyl-malonic acid diethyl ester | 79181-79-6

• 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: (3-cyano-propyl)-phenyl-malonic acid diethyl ester
• 英文别名: (3-Cyan-propyl)-phenyl-malonsaeure-diaethylester；Diethyl (3-Cyanopropyl)phenylmalonate；diethyl 2-(3-cyanopropyl)-2-phenylpropanedioate
• CAS: 79181-79-6
• 化学式: C₁₇H₂₁NO₄
• 分子量: 303.358
• InChiKey: FBGLDVLQGJWUNG-UHFFFAOYSA-N

物化性质

• 沸点：
  443.2±45.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-cyano-propyl)-phenyl-malonic acid diethyl ester 、 硫脲 生成 4-(4,6-Dioxo-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)butanenitrile
  参考文献：
  名称：

  BOCUSLASKI, R. C.;BURD, J. F.;CARRICO, R. J.

  摘要：

  DOI：
• 作为产物：
  描述：

  苯基丙二酸二乙酯 、 4-溴丁腈 生成 (3-cyano-propyl)-phenyl-malonic acid diethyl ester
  参考文献：
  名称：

  Tamemasa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1951, vol. 71, p. 1015,1018

  摘要：

  DOI：

文献信息

• Beta-galactosyl-umbelliferone-labeled hapten conjugates
  申请人：Miles Laboratories, Inc.

  公开号：US04404366A1

  公开（公告）日：1983-09-13

  An improved specific binding assay method and reagent for determining a ligand in a liquid medium employing, as an enzyme-cleavable substrate label, a residue having the formula: G--D--R wherein G is a glycone, D is a dye indicator moiety, and R is a linking group through which the label residue is covalently bound to a binding component of a conventional binding assay system, such as the ligand, an analog thereof, or a specific binding partner thereof. The monitored characteristic of the label is the release of a detectable product, usually a fluorogen or chromogen, upon enzymatic cleavage of the glycosidic linkage between the glycone and the dye indicator moiety. The assay method may follow a homogeneous or heterogeneous format. The preferred glycone is a .beta.-galactosyl group and the preferred dye indicator moiety is an umbelliferone residue. The improved assay is particularly suited to the determination of haptens, such as drugs, and antigenic proteins and polypeptides, including antibodies, following a homogeneous competitive binding assay format. CROSS-REFERENCE TO RELATED APPLICATION

  本发明提供了一种改进的特异性结合测定方法和试剂，用于确定液体介质中的配体，采用可酶解底物标记作为酶可降解底物标记，该标记残基的公式为：G-D-R，其中G是糖基，D是染料指示基团，R是链接基团，通过该基团，标记残基与传统结合测定系统的结合组分，例如配体、其类似物或特异性结合伙伴，共价结合。标记的监测特征是在糖苷键和染料指示基团之间的酶解下释放可检测的产物，通常是荧光原或色原。该测定方法可以采用均相或非均相格式。首选的糖基是β-半乳糖基，首选的染料指示基团是芹菜素残基。该改进的测定方法特别适用于采用均相竞争结合测定格式测定半抗原、如药物和抗原蛋白和多肽，包括抗体。与相关申请的交叉引用。
• Specific binding assay employing an enzyme-cleavable substrate as label
  申请人：Miles Laboratories, Inc.

  公开号：US04279992A1

  公开（公告）日：1981-07-21

  An improved specific binding assay method and reagent for determining a ligand in a liquid medium employing, as an enzyme-cleavable substrate label, a residue having the formula: G--D--R wherein G is a glycone, D is a dye indicator moiety, and R is a linking group through which the label residue is covalently bound to a binding component of a conventional binding assay system, such as the ligand, an analog thereof, or a specific binding partner thereof. The monitored characteristic of the label is the release of a detectable product, usually a fluorogen or chromogen, upon enzymatic cleavage of the glycosidic linkage between the glycone and the dye indicator moiety. The assay method may follow a homogeneous or heterogeneous format. The preferred glycone is a .beta.-galactosyl group and the preferred dye indicator moiety is an umbelliferone residue. The improved assay is particularly suited to the determination of haptens, such as drugs, and antigenic proteins and polypeptides, including antibodies, following a homogeneous competitive binding assay format.

  一种改进的特异性结合测定方法和试剂，用于测定液体介质中的配体，采用作为酶可降解的底物标记的残基，其公式为：G--D--R，其中G是糖基，D是染料指示基团，R是连接基团，通过该标记残基与常规结合测定系统的结合组分共价结合，例如配体，其类似物或特异性结合伙伴。标记的监测特征是在糖苷键在糖基和染料指示基团之间被酶降解后释放出可检测的产物，通常是荧光原或色原。测定方法可以采用均相或非均相格式。首选的糖基是β-半乳糖基，首选的染料指示基团是芹菜素残基。改进的测定方法特别适用于采用均相竞争结合测定格式测定半抗原，例如药物和抗原蛋白和多肽，包括抗体。
• .beta.-Galactosyl-umbelliferone-labeled protein and polypeptide
  申请人：Miles Laboratories, Inc.

  公开号：US04331590A1

  公开（公告）日：1982-05-25

  An improved specific binding assay method and reagent for determining a ligand in a liquid medium employing, as an enzyme-cleavable substrate label, a residue having the formula: G-D-R wherein G is a glycone, D is a dye indicator moiety, and R is a linking group through which the label residue is covalently bound to a binding component of a conventional binding assay system, such as the ligand, an analog thereof, or a specific binding partner thereof. The monitored characteristic of the label is the release of a detectable product, usually a fluorogen or chromogen, upon enzymatic cleavage of the glycosidic linkage between the glycone and the dye indicator moiety. The assay method may follow a homogeneous or heterogeneous format. The preferred glycone is a .beta.-galactosyl group and the preferred dye indicator moiety is an umbelliferone residue. The improved assay is particularly suited to the determination of haptens, such as drugs, and antigenic proteins and polypeptides, including antibodies, following a homogeneous competitive binding assay format.

  一种改进的特异性结合测定方法和试剂，用于在液体介质中测定配体，其使用一个酶可裂解的底物标记作为标记残基，其化学式为：G-D-R，其中G是糖基，D是染料指示基团，R是连接基团，通过该连接基团，标记残基与传统结合测定系统的结合组分，例如配体、类似物或特异性结合伴侣，共价结合。标记的监测特征是糖苷键和染料指示基团之间的裂解释放出可检测的产物，通常是荧光原或色素原。该测定方法可以遵循均相或非均相的格式。首选的糖基是β-半乳糖基，首选的染料指示基团是芹菜素残基。该改进的测定方法特别适用于在均相竞争结合测定格式下测定半抗原、如药物和抗原蛋白和多肽，包括抗体。
• BOCUSLASKI, R. C.;BURD, J. F.;CARRICO, R. J.
  作者：BOCUSLASKI, R. C.、BURD, J. F.、CARRICO, R. J.

  DOI：——

  日期：——
• Tamemasa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1951, vol. 71, p. 1015,1018
  作者：Tamemasa

  DOI：——

  日期：——