(2S,3R)-3-羟基丁烷-1,2,3-三羧酸 | 71183-66-9

• 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: (2S,3R)-3-羟基丁烷-1,2,3-三羧酸
• 英文名称: (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
• CAS: 71183-66-9
• 化学式: C₇H₁₀O₇
• 分子量: 206.15
• InChiKey: HHKPKXCSHMJWCF-WVBDSBKLSA-N

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

文献信息

• 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。
• NOVEL ACONITASE
  申请人：Candas Mehmet

  公开号：US20070219269A1

  公开（公告）日：2007-09-20

  A bacterial protein which converts 2-methyl citrate to 2-methyl isocitrate is a previously unknown target for antibacterial agents. The protein of this activity is associated with mucoid bacteria and inhibitors of production or activity of this protein in combination with propionic acid mitigate the virulence of these bacteria.
• METABOLIC GENE, ENZYME, AND FLUX TARGETS FOR CANCER THERAPY
  申请人：Stephanopoulos Gregory

  公开号：US20130331432A1

  公开（公告）日：2013-12-12

  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.
• [EN] METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES<br/>[FR] MÉTHODE DE PRÉDICTION DE CIBLES DE MÉDICAMENT ET CRIBLAGE DE MÉDICAMENTS DESTINÉS À DÉTECTER DES MICROORGANISMES PATHOGÈNES AU MOYEN DE MÉTABOLITES ESSENTIELS
  申请人：KOREA ADVANCED INST SCI & TECH

  公开号：WO2011034397A2

  公开（公告）日：2011-03-24

  본 발명은 필수 대사산물을 이용한 병원성 미생물의 약물 표적 예측 및 약물 탐색 방법에 관한 것으로, 보다 구체적으로는 대상 미생물을 선정하고, 선정된 미생물의 대사 네트워크 모델을 구축한 후, 필수 대사산물 분석 (metabolite essentiality) 방법을 적용하여 세포 성장에 필수적인 대사산물을 예측하고, 이들 중 유통 대사산물（currency metabolite) 및 소비하는 반응식의 개수가 기준 미달인 필수 대사산물들 제거한 후, 남은 필수 대사산물들과 이들을 소비하는 효소가 숙주의 대사에 없는 것들만을 추가 선별함으로써, 효율적인 병원성 미생물의 약물 표적 효소 또는 이를 코딩하는 약물 표적 유전자를 스크리닝하는 방법 및 이들 병원성 미생물의 성장을 억제할 수 있는 약물을 선별하는 스크리닝 방법에 관한 것이다.
• [EN] METABOLIC GENE, ENZYME, AND FLUX TARGETS FOR CANCER THERAPY<br/>[FR] GENÈS, ENZYMES ET FLUX CONSTITUANT DES CIBLES MÉTABOLIQUES POUR LA THÉRAPIE CONTRE LE CANCER
  申请人：MASSACHUSETTS INST TECHNOLOGY

  公开号：WO2012006506A1

  公开（公告）日：2012-01-12

  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 IDHl, isocitrate dehydrogenase 2 (IDH2), aconitase 1 (ACOl), aconitase 2 (AC02), glutaminase (GLS), glutamate dehydrogenase (GDH) and transaminase, provides effective means of inhibiting tumor growth.