3-[7,13,17-Tris-(2-carboxy-ethyl)-3,8,18-tris-carboxymethyl-12-methyl-porphyrinogen-2-yl]-propionic acid | 4990-00-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 3-[7,13,17-Tris-(2-carboxy-ethyl)-3,8,18-tris-carboxymethyl-12-methyl-porphyrinogen-2-yl]-propionic acid
• CAS: 4990-00-5
• 化学式: C₃₉H₄₄N₄O₁₄
• 分子量: 792.797
• InChiKey: VBBQYJUFVQWLRQ-UHFFFAOYSA-N

物化性质

• 沸点：
  1114.4±60.0 °C(Predicted)
• 密度：
  1.525±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  57.0
• 可旋转键数：
  18.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  324.26
• 氢给体数：
  11.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-[7,13,17-Tris-(2-carboxy-ethyl)-3,8,18-tris-carboxymethyl-12-methyl-porphyrinogen-2-yl]-propionic acid 、 甲醇 、 S-腺苷-L-蛋氨酸 在 antifoam 204 、 magnesium chloride Tris-HCl buffer 、 Escherichia coli CR₃₉₅ lysate 、 potassium chloride 、 硫酸 作用下， 反应 38.0h， 以3%的产率得到
  参考文献：
  名称：

  Synthesis of substrate analogs of methyltransferases in the vitamin B12 biosynthetic pathway and characterization of their enzymatic products

  摘要：

  The specificity toward substrate analogs of the first two methyltransferases in the vitamin B-12 biosynthetic pathway was probed with 15 synthetic porphyrinogens. Several novel methylated chlorins and isobacteriochlorins were isolated and characterized, suggesting the same methylation sequence C-2 > C-7 > C-20 as for the natural substrate, uro'gen III. The results allow us to narrow down possible structural requirements concerning substrate recognition by the methyltransferase enzymes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.01.041
• 作为产物：
  描述：

  在 氢氧化钾 、 sodium amalgam 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 3-[7,13,17-Tris-(2-carboxy-ethyl)-3,8,18-tris-carboxymethyl-12-methyl-porphyrinogen-2-yl]-propionic acid
  参考文献：
  名称：

  Synthesis of substrate analogs of methyltransferases in the vitamin B12 biosynthetic pathway and characterization of their enzymatic products

  摘要：

  The specificity toward substrate analogs of the first two methyltransferases in the vitamin B-12 biosynthetic pathway was probed with 15 synthetic porphyrinogens. Several novel methylated chlorins and isobacteriochlorins were isolated and characterized, suggesting the same methylation sequence C-2 > C-7 > C-20 as for the natural substrate, uro'gen III. The results allow us to narrow down possible structural requirements concerning substrate recognition by the methyltransferase enzymes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.01.041

文献信息

• Synthesis of substrate analogs of methyltransferases in the vitamin B12 biosynthetic pathway and characterization of their enzymatic products
  作者：Clotilde Pichon-Santander、Patricio J. Santander、A. Ian Scott

  DOI：10.1016/j.bmc.2006.01.041

  日期：2006.6

  The specificity toward substrate analogs of the first two methyltransferases in the vitamin B-12 biosynthetic pathway was probed with 15 synthetic porphyrinogens. Several novel methylated chlorins and isobacteriochlorins were isolated and characterized, suggesting the same methylation sequence C-2 > C-7 > C-20 as for the natural substrate, uro'gen III. The results allow us to narrow down possible structural requirements concerning substrate recognition by the methyltransferase enzymes. (c) 2006 Elsevier Ltd. All rights reserved.