| 198561-70-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 198561-70-5
• 化学式: C₃₇H₄₉NO₂₃
• 分子量: 875.789
• InChiKey: CITQIDKQPSXWOD-PMNXNIDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.99
• 重原子数：
  61.0
• 可旋转键数：
  13.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  357.97
• 氢给体数：
  11.0
• 氢受体数：
  23.0

反应信息

• 作为反应物：
  描述：

  在 human salicary α-amylase 、 sodium chloride 、 calcium chloride 作用下， 以 phosphate buffer 为溶剂， 生成 4-硝基苯基-Β-D-麦牙糖苷 、 4-O-(4,6-O-benzylidene-α-D-glucopyranosyl-α-D-glucopyranose
  参考文献：
  名称：

  Examination of the active sites of human salivary α-amylase (HSA)

  摘要：

  The action pattern of human salivary amylase (HSA) was examined by utilising as model substrates 2-chloro-4-nitrophenyl (CNP) beta -glycosides of maltooligosaccharides of dp 4-8 and some 4-nitrophenyl (NP) derivatives modified at the nonreducing end with a 4,6-O-benzylidene (Bnl) group. The product pattern and cleavage frequency were investigated by product analysis using HPLC. The results revealed that the binding region in HSA is longer than five subsites usually considered in the literature and suggested the presence of at least six subsites; four glycone binding sites (- 4, - 3, - 2, - 1) and two aglycone binding sites (+ 1, + 2). In the ideal arrangement, the six subsites are filled by a glucosyl unit and the release of maltotetraose (G(4)) from the nonreducing end is dominant. The benzylidene group was also recognisable by subsites (- 3) and ( - 4). The binding modes of the benzylidene derivatives indicated a favourable interaction between the Bnl group and subsite (- 3) and an unfavourable one with subsite (- 4). Thus, subsite (- 4) must be more hydrophylic than hydrophobic. As compared with the action of porcine pancreatic alpha -amylase (PPA) on the same substrates, the results showed differences in the three-dimensional structure of active sites of HSA and PPA. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(00)00221-4
• 作为产物：
  描述：

  p-nitrophenyl O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-(1->4)-bis-[O-(2,3,6-tri-O-acetyl-α-D-glucopyranosyl)-(1->4)]-2,3,6-tri-O-acetyl-β-D-glucopyranoside 在 sodium methylate 、 对甲苯磺酸 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成
  参考文献：
  名称：

  基于环糊精的α-淀粉酶发色底物的合成

  摘要：

  摘要一锅乙酰化和随后部分乙酰化的α-，β-和γ-环糊精分别导致结晶的过乙酰化麦芽六糖，-庚糖和-八糖。β-环糊精的长时间乙酰水解得到乙酰化的麦芽低聚糖的混合物，从中分离出过乙酰化的麦芽三糖，-四糖和-戊糖。将乙酰化的低聚糖转化为α-乙酰溴衍生物，然后转化为4-硝基苯基和2-氯-4-硝基苯基β-糖苷。由4-硝基苯基糖苷制备4，6-O-亚苄基衍生物，其与游离糖苷一起用作猪胰腺α-淀粉酶的底物。一锅乙酰化并随后部分环糊精乙酰化，导致过乙酰化的麦芽低聚体（dp 3-8），

  DOI：

  10.1016/s0008-6215(97)00187-0