4-oxo-5-decenedioic acid | 114212-45-2

• 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: 4-oxo-5-decenedioic acid
• 英文别名: 4-oxo-sebacic acid；4-oxo-decanedioic acid；4-Oxo-decandisaeure；4-Oxosebacic acid；4-oxodecanedioic acid
• CAS: 114212-45-2
• 化学式: C₁₀H₁₆O₅
• 分子量: 216.234
• InChiKey: XTQIBFVBYWIHIP-UHFFFAOYSA-N

物化性质

• 熔点：
  109-111 °C(Solv: dichloromethane (75-09-2))
• 沸点：
  460.0±25.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  4-oxo-5-decenedioic acid 在 alkali hydroxide 、 一水合肼 、 二乙二醇 作用下， 生成 癸二酸
  参考文献：
  名称：

  Huenig; Luecke, Chemische Berichte, 1959, vol. 92, p. 652,660

  摘要：

  DOI：
• 作为产物：
  描述：

  dimethyl 7-oxodecane-1,10-dioate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 水 为溶剂， 生成 4-oxo-5-decenedioic acid
  参考文献：
  名称：

  Probing the active site of rat porphobilinogen synthase using newly developed inhibitors

  摘要：

  The structurally related tetrapyrrolic pigments are a group of natural products that participate in many of the fundamental biosynthetic and catabolic processes of living organisms. Porphobilinogen synthase catalyzes a rate-limiting step for the biosyntheses of tetrapyrrolic natural products. In the present study, a variety of new substrate analogs and reaction intermediate analogs were synthesized, which were used as probes for studying the active site of rat porphobilinogen synthase. The compounds 1, 3, 6, 9, 14, 16, and 28 were found to be competitive inhibitors of rat porphobilinogen synthase with inhibition constants ranging from 0.96 to 73.04 mM. Compounds 7, 10, 12, 13, 15, 17, 18, and 26 were found to be irreversible enzyme inhibitors. For irreversible inhibitors, loose-binding inhibitors were found to give stronger inactivation. The amino group and carboxyl group of the analogs were found to be important for their binding to the enzyme. This study increased our understanding of the active site of porphobilinogen synthase. (C) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2008.11.001

文献信息

• Die Oxidation von 3-(1-Nitro-2-oxocycloalkyl)propanal
  作者：Alois Zürcher、Manfred Hesse

  DOI：10.1002/hlca.19870700728

  日期：1987.11.4

  The Oxidation of 3-(1-Nitro-2-oxocycloalkyl)propanal

  3-（1-硝基-2-氧代环烷基）丙醛的氧化
• ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES
  申请人：Jaffe Eileen K.

  公开号：US20090048324A1

  公开（公告）日：2009-02-19

  A composition having an agent adapted to affect a multimeric protein by binding to a binding site of the multimeric protein and thereby affecting an equilibrium of units, wherein the multimeric protein has an assembly having a plurality of said units, wherein each of the units has a first complementary surface and a second complementary surface and wherein the first complementary surface of one unit is associated with the second complementary surface of another unit, provided that the assembly is at least one of different quaternary isoforms on a condition that in the multimeric protein (1) a structure of each of the units determines a structure of the different quaternary isoforms, (2) the units are in the equilibrium and (3) the structure of the different quaternary isoforms influences a function of the multimeric protein.

  一种组合物，具有适用于影响多聚蛋白的药剂，通过结合多聚蛋白的结合位点并因此影响单位的平衡，其中多聚蛋白具有具有多个该单位的组装体，其中每个单位具有第一互补表面和第二互补表面，其中一个单位的第一互补表面与另一个单位的第二互补表面相关联，前提是组装体至少是不同的四聚体异构体之一，在多聚蛋白中（1）每个单位的结构决定不同四聚体异构体的结构，（2）单位处于平衡状态，（3）不同四聚体异构体的结构影响多聚蛋白的功能。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• Alternate morpheeins of allosteric proteins as a target for the development of bioactive molecules
  申请人：Jaffe K. Eileen

  公开号：US20060162014A1

  公开（公告）日：2006-07-20

  A composition having an agent adapted to affect a multimeric protein by binding to a binding site of the mulfimeric protein and thereby affecting an equilibrium of units, wherein the mulfimeric protein has an assembly having a plurality of said units, wherein each of the units has a first complementary surface and a second complementary surface and wherein the first complementary surface of one unit is associated with the second complementary surface of another unit, provided that the assembly is at least one of different quaternary isoforms on a condition that in the multimeric protein (1) a structure of each of the units determines a structure of the different quaternary isoforms, (2) the units are in the equilibrium and (3) the structure of the different quaternary isoforms influences a function of the multimeric protein.

  一种组合物，该组合物具有适于通过与多聚蛋白的结合位点结合从而影响多聚蛋白的药剂，其中多聚蛋白具有具有多个所述单元的组装体，其中每个单元具有第一互补表面和第二互补表面，其中一个单元的第一互补表面与另一个单元的第二互补表面相关联、前提是该组合物至少是不同的四元异构体之一，条件是在多聚蛋白中：(1) 每个单元的结构决定不同四元异构体的结构；(2) 单元处于平衡状态；(3) 不同四元异构体的结构影响多聚蛋白的功能。
• Asahina; Fujita, Acta Phytochimica, 1922, vol. 1, p. 13,23
  作者：Asahina、Fujita

  DOI：——

  日期：——