2-甲基异柠檬酸 | 6061-95-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-甲基异柠檬酸
• 英文名称: methylisocitric acid
• 英文别名: 3-hydroxy-butane-1,2,3-tricarboxylic acid；γ-Oxy-butan-α.β.γ-tricarbonsaeure；2-Methyl-3-methylsaeure-pentanol-(2)-disaeure；3-Hydroxy-butan-1,2,3-tricarbonsaeure；3-Hydroxybutane-1,2,3-tricarboxylic acid
• CAS: 6061-95-6；53402-42-9
• 化学式: C₇H₁₀O₇
• 分子量: 206.152
• InChiKey: HHKPKXCSHMJWCF-UHFFFAOYSA-N

物化性质

• LogP：
  -0.993 (est)
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙酰琥珀酸二乙酯 、 氰化钾 在 盐酸 、 乙醚 作用下， 生成 2-甲基异柠檬酸
  参考文献：
  名称：

  Michael; Tissot, Journal fur praktische Chemie (Leipzig 1954), 1892, vol. <2>46, p. 302

  摘要：

  DOI：

文献信息

• Probe compound for detecting and isolating enzymes and means and methods using the same
  申请人：Helmholtz-Zentrum für Infektionsforschung GmbH

  公开号：EP2230312A1

  公开（公告）日：2010-09-22

  The present invention relates to a probe compound that can comprise any substrate or metabolite of an enzymatic reaction in addition to an indicator component, such as, for example, a fluorescence dye, or the like. Moreover, the present invention relates to means for detecting enzymes in form of an array, which comprises any number of probe compounds of the invention which each comprise a different metabolite of interconnected metabolites representing the central pathways in all forms of life. Moreover, the present invention relates to a method for detecting enzymes involving the application of cell extracts or the like to the array of the invention which leads to reproducible enzymatic reactions with the substrates. These specific enzymatic reactions trigger the indicator (e.g. a fluorescence signal) and bind the enzymes to the respective cognate substrates. Moreover, the invention relates to means for isolating enzymes in form of nanoparticles coated with the probe compound of the invention. The immobilisation of the cognate substrates or metabolites on the surface of nanoparticles by means of the probe compounds allows capturing and isolating the respective enzyme, e.g. for subsequent sequencing.

  本发明涉及一种探针化合物，它可以包括酶反应的任何底物或代谢物，此外还包括指示成分，例如荧光染料或类似物。此外，本发明还涉及以阵列形式检测酶的方法，该阵列由任意数量的本发明探针化合物组成，每种探针化合物由代表所有生命形式中中心途径的相互关联的代谢物中的不同代谢物组成。此外，本发明还涉及一种检测酶的方法，该方法涉及将细胞提取物或类似物应用于本发明的阵列，从而导致与底物发生可重复的酶反应。这些特定的酶反应会触发指示剂（如荧光信号），并将酶与各自的同源底物结合。此外，本发明还涉及以涂覆有本发明探针化合物的纳米颗粒形式分离酶的方法。通过探针化合物将同源底物或代谢物固定在纳米颗粒表面，可以捕获和分离相应的酶，例如用于后续测序。
• 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。
• Genetic alterations in isocitrate dehydrogenase and other genes in malignant glioma
  申请人：The Johns Hopkins University

  公开号：EP2546365A1

  公开（公告）日：2013-01-16

  We found mutations of the R132 residue of isocitrate dehydrogenase 1 (IDH1) in the majority of grade II and III astrocytomas and oligodendrogliomas as well as in glioblastomas that develop from these lower grade lesions. Those tumors without mutations in IDH1 often had mutations at the analogous R172 residue of the closely related IDH2 gene. These findings have important implication for the pathogenesis and diagnosis of malignant gliomas.

  我们在大多数 II 级和 III 级星形细胞瘤、少突胶质细胞瘤以及由这些低级别病变发展而来的胶质母细胞瘤中发现了异柠檬酸脱氢酶 1（IDH1）的 R132 残基突变。那些没有发生 IDH1 基因突变的肿瘤往往在与之密切相关的 IDH2 基因的类似 R172 残基上发生了突变。这些发现对恶性胶质瘤的发病机制和诊断具有重要意义。
• BIOTECHNOLOGICAL PRODUCTION OF ALKYLPHENOLS AND THEIR USES
  申请人：Johann Wolfgang Goethe-Universität Frankfurt

  公开号：EP3800247A1

  公开（公告）日：2021-04-07

  The present invention relates to host cells which contain heterologous nucleic acid molecules coding for a 6-methylsalicylic acid synthase (MSAS), a phosphopantetheinyl transferase (PPTase) for the phosphopantetheinylation of the MSAS, a 6-methylsalicylic acid (6-MSA) decarboxylase, and an increased intracellular provision of propionyl-CoA and/or butyryl-CoA. The present invention further relates to using these host cells, preferably yeast cells, for producing 3-alkylphenols. The present invention further relates to methods of producing 3-alkylphenols, compositions of 3-alkylphenols and to tsetse fly attractant compositions.

  本发明涉及宿主细胞，其含有编码 6-甲基水杨酸合成酶（MSAS）、用于 MSAS 磷酸化乙炔基转移酶（PPTase）、6-甲基水杨酸（6-MSA）脱羧酶的异源核酸分子，以及增加的丙酰-CoA 和/或丁酰-CoA 细胞内供应量。本发明进一步涉及使用这些宿主细胞，最好是酵母细胞来生产 3-烷基酚。本发明进一步涉及生产 3-烷基酚的方法、3-烷基酚组合物和采采蝇引诱剂组合物。
• Metabolic gene, enzyme, and flux targets for cancer therapy
  申请人：Stephanopoulos Gregory

  公开号：US10064885B2

  公开（公告）日：2018-09-04

  A novel pathway in cancer cell metabolism is identified. Targeting of any gene, protein, or enzyme that modulates activity or flux through this pathway, including, but not limited to IDH1, isocitrate dehydrogenase 2 (IDH2), aconitase 1 (ACO1), aconitase 2 (ACO2), glutaminase (GLS), glutamate dehydrogenase (GDH) and transaminase, provides effective means of inhibiting tumor growth.

  发现癌细胞代谢的新途径。靶向任何通过该途径调节活性或通量的基因、蛋白质或酶，包括但不限于 IDH1、异柠檬酸脱氢酶 2 (IDH2)、乌头酶 1 (ACO1)、乌头酶 2 (ACO2)、谷氨酰胺酶 (GLS)、谷氨酸脱氢酶 (GDH) 和转氨酶，可提供抑制肿瘤生长的有效手段。