4,5,7,8-Tetrahydro-6H-3-β-D-ribofuranosylimidazo<4,5-e><1,4>diazepine-5,8-dione | 125529-54-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,5,7,8-Tetrahydro-6H-3-β-D-ribofuranosylimidazo<4,5-e><1,4>diazepine-5,8-dione
• 英文别名: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione
• CAS: 125529-54-6
• 化学式: C₁₁H₁₄N₄O₆
• 分子量: 298.255
• InChiKey: VPQWBCXZPRBCSQ-TZQXKBMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,5,7,8-Tetrahydro-6H-3-β-D-ribofuranosylimidazo<4,5-e><1,4>diazepine-5,8-dione 生成 disodium;3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6H-imidazo[4,5-e][1,4]diazepine-5,8-diolate
  参考文献：
  名称：

  HOSMANE, RAMACHANDRA S.;BHAN, ANILA;KARPEL, RICHARD L.;SIRIWARDANE, UPALI+, J. ORG. CHEM., 55,(1990) N3, C. 5882-5890

  摘要：

  DOI：
• 作为产物：
  描述：

  5-Amino-4-(N-((methoxycarbonyl)methyl)carbamoyl)-1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)imidazole 生成 4,5,7,8-Tetrahydro-6H-3-β-D-ribofuranosylimidazo<4,5-e><1,4>diazepine-5,8-dione
  参考文献：
  名称：

  HOSMANE, RAMACHANDRA S.;BHAN, ANILA;KARPEL, RICHARD L.;SIRIWARDANE, UPALI+, J. ORG. CHEM., 55,(1990) N3, C. 5882-5890

  摘要：

  DOI：

文献信息

• The synthesis and biophysical investigations of novel ring-expanded nucleosides, nucleotides, and homopolymers containing the 5:7-fused heterocyclic ring system, imidazo[4,5-e][1,4]diazepine
  作者：Ramachandra S. Hosmane、Anila Bhan、Richard L. Karpel、Upali Siriwardane、Narayan S. Hosmane

  DOI：10.1021/jo00310a021

  日期：1990.11
• Nucleosides and Nucleotides. 130. The Synthesis of Imidazo[4, 5-<i>e</i>][1, 4] Diazepine Nucleosides From<i>N</i>¹-Substituted Inosines
  作者：Mitsutoshi Aoyagi、Noriaki Minakawa、Akira Matsuda

  DOI：10.1080/15257779408012169

  日期：1994.7

  New synthetic methods for pyrimidine ring-expanded xanthosine, guanosine, and inosine analogues containing imidazo[4,5-e][1,4]diazepine nucleus are described. Treatment of N-1-substituted inosine derivatives 5, 12, 19 with aqueous NaOH gave 5-amino-4-(N-substituted carbamoyl)imidazole derivatives, followed by appropriate manipulations to cyclize these to constitute imidazo[4,5-e][1,4]diazepine nucleosides 11, 17, 22.
• HOSMANE, RAMACHANDRA S.;BHAN, ANILA;KARPEL, RICHARD L.;SIRIWARDANE, UPALI+, J. ORG. CHEM., 55,(1990) N3, C. 5882-5890
  作者：HOSMANE, RAMACHANDRA S.、BHAN, ANILA、KARPEL, RICHARD L.、SIRIWARDANE, UPALI+

  DOI：——

  日期：——
• HOSMANE, RAMACHANDRA S.;BHAN, ANILA, NUCLEOSIDES AND NUCLEOTIDES, 9,(1990) N, C. 913-922
  作者：HOSMANE, RAMACHANDRA S.、BHAN, ANILA

  DOI：——

  日期：——
• HOSMANE, RAMACHANDRA S.;BHAN, ANILA;HULCE, MARTIN;ZHANG, HONGMING;HOSMANE+, NUCLEOSIDES AND NUCLEOTIDES, 10,(1991) N, C. 819-836
  作者：HOSMANE, RAMACHANDRA S.、BHAN, ANILA、HULCE, MARTIN、ZHANG, HONGMING、HOSMANE+

  DOI：——

  日期：——