dibenzyl (bromomethyl)phosphonate | 253682-73-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: dibenzyl (bromomethyl)phosphonate
• 英文别名: [Bromomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
• CAS: 253682-73-4
• 化学式: C₁₅H₁₆BrO₃P
• 分子量: 355.168
• InChiKey: JUWAWZYMPFWCLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  dibenzyl (bromomethyl)phosphonate 在 三乙烯二胺 作用下， 以 甲苯 为溶剂， 140.0 ℃ 、133.32 Pa 条件下， 反应 4.0h， 生成 tribenzyl hydrogen methylenebis(phosphonate)
  参考文献：
  名称：

  The assembly of β-methylene-TAD, a metabolically stable analogue of the antitumor agent tad, by the stepwise esterification of monodeprotected methylenebis-(phosphonate) benzyl esters under mitsunobu conditions

  摘要：

  Synthesis of the metabolically stable analogue of thiazole-4-carboxamide adenine dinucleotide (beta-methylene-TAD) was achieved via the sequential monodeprotection of tetrabenzyl methylenebis(phosphonate) after two rounds of Mitsunobu esterifications with the corresponding nucleoside components, tiazofurin and adenosine. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00544-2
• 作为产物：
  描述：

  亚磷酸二苄酯 在 四溴化碳 、 三乙胺 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 20.0h， 生成 dibenzyl (bromomethyl)phosphonate
  参考文献：
  名称：

  The assembly of β-methylene-TAD, a metabolically stable analogue of the antitumor agent tad, by the stepwise esterification of monodeprotected methylenebis-(phosphonate) benzyl esters under mitsunobu conditions

  摘要：

  Synthesis of the metabolically stable analogue of thiazole-4-carboxamide adenine dinucleotide (beta-methylene-TAD) was achieved via the sequential monodeprotection of tetrabenzyl methylenebis(phosphonate) after two rounds of Mitsunobu esterifications with the corresponding nucleoside components, tiazofurin and adenosine. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00544-2

文献信息

• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：GILEAD SCIENCES, INC.

  公开号：US20040121316A1

  公开（公告）日：2004-06-24

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种鉴定含有羧酸酯或磷酸酯基团抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶筛选这类化合物的文库。还提供了与GS-7340酯水解酶相关的组合物和方法。
• Method and compositions for identifying anti-hiv therapeutic compounds
  申请人：Birkus Gabriel

  公开号：US20060115815A1

  公开（公告）日：2006-06-01

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种鉴定具有羧酸酯或膦酸酯基团的抗HIV治疗化合物的方法。可以使用新型酶GS-7340 Ester Hydrolase筛选这些化合物的库。还提供了与GS-7340 Ester Hydrolase相关的组合物和方法。
• Non nucleoside reverse transcriptase inhibitors
  申请人：Chen M. James

  公开号：US20060128692A1

  公开（公告）日：2006-06-15

  Phosphorus-substituted imidazole compounds with anti-HIV properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit reverse transcriptase activity and are useful therapeutically for the inhibition of such enzymes, as well as in assays for the detection of such enzymes.

  本发明揭示了具有抗HIV特性的磷替代咪唑化合物，其具有作为治疗剂和其他工业用途的用途。这些组合物抑制反转录酶活性，可用于治疗抑制该类酶以及用于检测该类酶的测定。
• NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS
  申请人：GILEAD SCIENCES, INC.

  公开号：EP1501841A2

  公开（公告）日：2005-02-02
• EP1575486A4
  申请人：——

  公开号：EP1575486A4

  公开（公告）日：2007-02-28