2-溴乙酰基辅酶A | 7303-38-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-溴乙酰基辅酶A
• 英文名称: bromoacetylcoenzyme A
• 英文别名: 2-Bromoacetyl coenzyme A；S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-bromoethanethioate
• CAS: 7303-38-0
• 化学式: C₂₃H₃₇BrN₇O₁₇P₃S
• 分子量: 888.475
• InChiKey: RNBXHSPQPNFOKA-GRFIIANRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  52
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  溴代乙酸酐 、 辅酶 A 在 三乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.83h， 生成 2-溴乙酰基辅酶A
  参考文献：
  名称：

  Activity-Based Substrate Profiling for Gcn5-Related N-Acetyltransferases:  The Use of Chloroacetyl-Coenzyme A To Identify Protein Substrates

  摘要：

  The Gcn5-related N-acetyltransferases (GNAT) comprise one of the largest enzyme superfamilies, with over 10 000 known members represented in all kingdoms of life. ChloroacetylCoenzymeA was prepared and demonstrated to be a substrate for several GNAT members. ChloroacetylCoA (ClAcCoA) is used by the Hat1 histone acetyltransferase to correctly acetylate histone H4 in a mixture of histone proteins. Chloroacetylation can be assessed by the subsequent reaction of the chloroacetylated product with thiol-containing compounds, including those with fluorescent or affinity (His8) tags. The bacterial RimL N-acetyltransferase also uses ClAcCoA to chloroacetyl the alpha-amino group of its cognate substrate, the ribosomal L12 protein, and this reaction can be observed in crude extracts. ChloroacetylCoA is a reagent that can be used to identify the unknown substrate(s) for this large family of functionally uncharacterized enzymes.

  DOI：

  10.1021/ja066298w

文献信息

• Heterologous pathway to produce terpenes
  申请人：The Regents of the University of California

  公开号：US10167488B2

  公开（公告）日：2019-01-01

  Cells comprising a heterologous metabolic pathway are configured to produce a terpene product containing non-multiples of five carbon, particularly wherein the pathway comprises heterologous Lepidoptera insect juvenile hormone biosynthetic pathway enzymes of the insect's mevalonate pathway.

  包含异源代谢途径的细胞被配置为生产含有非五碳倍数的萜烯产品，特别是其中的途径包含昆虫甲羟戊酸途径的异源鳞翅目昆虫幼虫激素生物合成途径酶。
• METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION
  申请人：Interstitial Therapeutics

  公开号：EP1789029A2

  公开（公告）日：2007-05-30
• MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS
  申请人：Interstitial Therapeutics

  公开号：EP1789030A2

  公开（公告）日：2007-05-30
• USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA
  申请人：Université de Montréal

  公开号：EP3493802A1

  公开（公告）日：2019-06-12
• Methods and Compositions for the Treatment of Cell Proliferation
  申请人：Popowski Youri

  公开号：US20070254037A1

  公开（公告）日：2007-11-01

  The use of compositions which include one or more inhibitors of the citric acid, TCA, cycle and/or one or more inhibitors of oxidative phosphorylation for the treatment of cellular proliferation is disclosed. The composition is administered to or in the region of the proliferating cells or in a resection scar or cavity.