phosphonic acid bis-(1-cyano-1-methyl-ethyl ester) | 10325-80-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: phosphonic acid bis-(1-cyano-1-methyl-ethyl ester)
• 英文别名: 2,2,6,6-Tetramethyl-4-oxo-3,5-dioxa-4λ⁵-phospha-heptandinitril；Phosphonsaeure-bis-(1-cyan-1-methyl-aethylester)；Phosphorigsaeure-bis-<1-cyan-1-methyl-ethylester>；Bis-<1-cyan-1-methyl-ethyl>-phosphonat
• CAS: 10325-80-1
• 化学式: C₈H₁₃N₂O₃P
• 分子量: 216.177
• InChiKey: UGFZFZAUWDNXGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  83.11
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  chlorophosphoric acid bis-(1-cyano-1-methyl-ethyl ester) 、 phosphonic acid bis-(1-cyano-1-methyl-ethyl ester) 在 吡啶 、 乙醚 作用下， 生成 diphosphoric acid tetrakis-(1-cyano-1-methyl-ethyl ester)
  参考文献：
  名称：

  Kamai et al., Metodiceskij sbornik, 1957, # 23, p. 190,196

  摘要：

  DOI：
• 作为产物：
  描述：

  chlorophosphoric acid bis-(1-cyano-1-methyl-ethyl ester) 在 吡啶 、 乙醚 、 水 作用下， 生成 phosphonic acid bis-(1-cyano-1-methyl-ethyl ester)
  参考文献：
  名称：

  On Three-Dimensional Microcrack Density Distribution

  摘要：

  This paper considers tensorial representations of several microcrack distribution fractions due to tensile and compressive principal stresses in brittle materials in the framework of continuum mechanics. The common framework for deriving the damage tensors of different order from any density function is suggested. Second and fourth order damage tensors are derived for Dirac-, truncated Gauss-, and trigonometrical (cos(2)-) microcrack distributions using harmonic Fourier-like series. Each distribution is investigated under different combinations of tensile and compressive principal stresses for three-dimensional load cases. It is emphasized that only the trigonometrical distribution yields a spherical crack density surface for the fourth order tensor approximation under three equal principal stresses.

  DOI：

  10.1002/1521-4001(200101)81:1<3::aid-zamm3>3.0.co;2-s

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。
• Phosphonate analogs of HIV integrase inhibitor compounds
  申请人：Cai R. Zhenhong

  公开号：US20060116356A1

  公开（公告）日：2006-06-01

  Novel HIV integrase inhibitor compounds having at least one phosphonate group, protected intermediates thereof, and methods for inhibition of HIV-integrase are disclosed.

  本发明揭示了至少具有一个膦酸酯基团的新型HIV整合酶抑制剂化合物，其保护中间体以及用于抑制HIV整合酶的方法。
• Pre-organized tricyclic integrase inhibitor compounds
  申请人：GILEAD SCIENCES, INC.

  公开号：US20040167124A1

  公开（公告）日：2004-08-26

  Tricyclic compounds according to the structure below, protected intermediates thereof, and methods for inhibition of HIV-integrase are disclosed. 1 A 1 and A 2 are moieties forming a five, six, or seven membered ring. L is a bond or a linker connecting a ring atom of Ar to N. X is O, S, or substituted nitrogen. Ar is aryl or heteroaryl. Q is N, + NR, or CR 4 . The aryl carbons may be independently substituted with substituents other than hydrogen. The compounds may include prodrug moieties covalently attached at any site.

  本发明揭示了以下结构的三环化合物、其受保护的中间体以及抑制HIV整合酶的方法。其中，1A1和A2是形成五、六或七元环的基团。L是连接Ar环原子和N的键或连接器。X是O、S或取代氮。Ar是芳基或杂环芳基。Q是N、+NR或CR4。芳基碳可以独立地被取代为除氢以外的取代基。化合物可以包括共价连接在任何位点的前药基团。
• Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds
  申请人：Cai R. Zhenhong

  公开号：US20080076738A1

  公开（公告）日：2008-03-27

  Novel HIV integrase inhibitor compounds having at least one phosphonate group, protected intermediates thereof, and methods for inhibition of HIV-integrase are disclosed.

  本发明公开了至少具有一个膦酸酯基团的新型HIV整合酶抑制剂化合物、其受保护的中间体以及用于抑制HIV整合酶的方法。