糖蛋白络合物gp80 | 108387-51-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 糖蛋白络合物gp80
• 中文别名: 1-氧代-24-甲基-25-羟基胆骨化醇
• 英文名称: (R)-5-Hydroxy-3-[2-[(1R,3aS,7aR)-1-((1R,4S)-5-hydroxy-1,4,5-trimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-2-methylene-cyclohexanone
• 英文别名: 1-Keto-24-methylcalcifediol；(3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylidenecyclohexan-1-one
• CAS: 108387-51-5
• 化学式: C₂₈H₄₄O₃
• 分子量: 428.656
• InChiKey: VJDIEVNLNBFADS-CAPURZJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  糖蛋白络合物gp80 在 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 [1β-3H]-1α,25-dihydroxyvitamin D₄
  参考文献：
  名称：

  Study on the metabolites of 1α,25-dihydroxyvitamin D4

  摘要：

  Three major metabolites of 1 alpha ,25-dihydroxyvitamin D-4 were isolated from the bile of rat and the structures were elucidated on the basis of spectral data and the periodate oxidative cleavage of the diol structures of the metabolites. One of the metabolites was the known calcitroic acid. Another two metabolites were isomers and identified as 9, 10-secoergosta-5,7,10(19)-triene-1 alpha ,3 beta ,24,25-tetrahydroxy-26-oic acid and 9,10-secoergosta-5,7,10(19)-triene-1 alpha ,3 beta ,24,25tetrahydroxy-28-oic acid. It was found that 1 alpha ,25-dihydroxyvitamin D-4 is metabolized in a similar manner in vivo to that of 1 alpha ,25-dihydroxyvitamin D-2 but differently from 1 alpha ,25-dihydroxyvitamin D-2. (C) 2001 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(00)00208-7
• 作为产物：
  描述：

  22,23-Dihydro-1α,25-dihydroxyvitamin D₂ 在 戴斯-马丁氧化剂 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以48 mg的产率得到糖蛋白络合物gp80
  参考文献：
  名称：

  Study on the metabolites of 1α,25-dihydroxyvitamin D4

  摘要：

  Three major metabolites of 1 alpha ,25-dihydroxyvitamin D-4 were isolated from the bile of rat and the structures were elucidated on the basis of spectral data and the periodate oxidative cleavage of the diol structures of the metabolites. One of the metabolites was the known calcitroic acid. Another two metabolites were isomers and identified as 9, 10-secoergosta-5,7,10(19)-triene-1 alpha ,3 beta ,24,25-tetrahydroxy-26-oic acid and 9,10-secoergosta-5,7,10(19)-triene-1 alpha ,3 beta ,24,25tetrahydroxy-28-oic acid. It was found that 1 alpha ,25-dihydroxyvitamin D-4 is metabolized in a similar manner in vivo to that of 1 alpha ,25-dihydroxyvitamin D-2 but differently from 1 alpha ,25-dihydroxyvitamin D-2. (C) 2001 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(00)00208-7