1-(2,4,6-三异丙基苯磺酰基)-3-硝基-1H-1,2,4-三唑 | 73118-37-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2,4,6-三异丙基苯磺酰基)-3-硝基-1H-1,2,4-三唑
• 中文别名: 1-(2,4,6-异丙基苯)-3-硝化甘油-1,2,4-三唑
• 英文名称: 1-(2,4,6-tri-isopropylbenzenesulphonyl)-3-nitro-1,2,4-triazole
• 英文别名: TPSNI；1-(2,4,6-Tri-isopropyl-benzolsulfonyl)-3-nitro-1,2,4-triazol；1-(2,4,6-triisopropylbenzenesulfonyl)-3-nitro-1,2,4-triazole；2,4,6-triisopropyl benzenesulfonyl 3-nitro 1,2,4-triazole；3-nitro-1-(2,4,6-triisopropyl-benzenesulfonyl)-1H-[1,2,4]triazole；1-(2,4,6-Triisopropylbenzenesulfonyl)-3-nitro-1H-1,2,4-triazole；3-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
• CAS: 73118-37-3
• 化学式: C₁₇H₂₄N₄O₄S
• 分子量: 380.468
• InChiKey: XJBNCASBZVSLGO-UHFFFAOYSA-N

物化性质

• 熔点：
  128-130 °C(lit.)
• 沸点：
  523.9±60.0 °C(Predicted)
• 密度：
  1.31

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.529
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S26,S36

制备方法与用途

用于寡核苷酸合成中的偶联剂。

文献信息

• [EN] 4'-O-METHYLENE PHOSPHONATE NUCLEIC ACIDS AND ANALOGUES THEREOF<br/>[FR] ACIDES NUCLÉIQUES PHOSPHONATE DE 4'-O-MÉTHYLÈNE ET ANALOGUES DE CEUX-CI
  申请人：DICERNA PHARMACEUTICALS INC

  公开号：WO2021146488A1

  公开（公告）日：2021-07-22

  The present invention relates to nucleic acids and analogues thereof useful as potent and stable RNA interference agents.

  本发明涉及用作有效和稳定的RNA干扰剂的核酸及其类似物。
• Treatment or prophylaxis of diseases caused by pilus-forming bacteria
  申请人：——

  公开号：US20030198992A1

  公开（公告）日：2003-10-23

  Novel methods for the treatment and/or prophylaxis of diseases caused by tissue-adhering bacteria are disclosed. By interacting with periplasmic molecular chaperones it is achieved that the assembly of pili is prevented or inhibited and thereby the infectivity of the bacteria is diminished. Also disclosed are methods for screening for drugs as well as methods for the de novo design of such drugs, methods which rely on novel computer drug modelling methods involving an approximative calculation of binding free energy between macromolecules. Finally, novel pyranosides which are believed to be capable of interacting with periplasmic molecular chaperones are also disclosed.

  本发明揭示了治疗和/或预防由组织粘附细菌引起的疾病的新方法。通过与周质分子伴侣相互作用，防止或抑制鞭毛的组装，从而减少细菌的感染性。此外，还揭示了筛选药物的方法以及设计这种药物的新方法，这些方法依赖于涉及大分子之间结合自由能的近似计算的新型计算机药物建模方法。最后，还揭示了新型吡喃糖苷，据信能够与周质分子伴侣相互作用。
• Method for synthesizing cyclic bisdinucleoside
  申请人：Hayakawa Yoshihiro

  公开号：US20060167241A1

  公开（公告）日：2006-07-27

  A compound represented by Formula [2]: wherein R 2 and R 3 each independently represent a hydrogen atom, a halogen atom, a methoxy group, a 2-methoxyethoxy group or a hydroxyl group; and B 2 and B 3 each independently represent a nucleic acid base, or a salt thereof can be synthesized from a compound represented by Formula [1]: wherein R 1 represents a hydrogen atom, a halogen atom, a methoxy group, a 2-methoxyethoxy group, or a hydroxyl group substituted with a hydroxyl protecting group; and B 1 represents a nucleic acid base which may be protected.

  化合物的化学式为[2]，其中R2和R3各自独立地表示氢原子、卤素原子、甲氧基、2-甲氧基乙氧基或羟基；B2和B3各自独立地表示核酸碱基或其盐。该化合物可以从化学式[1]表示的化合物合成，其中R1表示氢原子、卤素原子、甲氧基、2-甲氧基乙氧基或羟基，且带有羟基保护基；B1表示可能被保护的核酸碱基。
• Phase change ink compositions
  申请人：Xerox Corporation

  公开号：US20030105185A1

  公开（公告）日：2003-06-05

  Disclosed is a phase change ink composition comprising a colorant and an ink vehicle, the ink being a solid at temperatures less than about 50° C. and exhibiting a viscosity of no more than about 20 centipoise at a jetting temperature of no more than about 160° C., wherein at a first temperature hydrogen bonds of sufficient strength exist between the ink vehicle molecules so that the ink vehicle forms hydrogen-bonded dimers, oligomers, or polymers, and wherein at a second temperature which is higher than the first temperature the hydrogen bonds between the ink vehicle molecules are sufficiently broken that fewer hydrogen-bonded dimers, oligomers, or polymers are present in the ink at the second temperature than are present in the ink at the first temperature, so that the viscosity of the ink at the second temperature is lower than the viscosity of the ink at the first temperature.

  本发明涉及一种相变墨水组合物，包括颜料和墨水载体，该墨水在低于约50℃的温度下为固体，并在不超过约160℃的喷射温度下表现出不超过约20厘泊的粘度。在第一温度下，墨水载体分子之间存在足够强度的氢键，以使墨水载体形成氢键二聚体、寡聚体或聚合物，而在第二温度下，该墨水载体分子之间的氢键被充分破坏，使得在第二温度下墨水中存在的氢键二聚体、寡聚体或聚合物比在第一温度下少，因此墨水在第二温度下的粘度低于在第一温度下的粘度。
• Ribonucleic acid compound and method of liquid-phase synthesis of oligonucleic acid compound
  申请人：Ohgi Tadaaki

  公开号：US20070172925A1

  公开（公告）日：2007-07-26

  A novel phosphotriesterified ribonucleic acid compound which is important for liquid-phase synthesis of oligo-RNA is provided. Examples of the ribonucleic acid compound of the invention may include ribonucleic acid compounds represented by the following general formula: (wherein B represents adenine, guanine, cytosine or uracil or a modified form thereof; R 21 represents aryl which may be substituted or a monocyclic or bicyclic heterocyclic group which may be substituted; R 20 represents H or alkyl which may be substituted; and R 1 represents a protecting group which can be removed at 90% or more at a temperature in the range from 0° C. to 60° C. under acidic conditions at a pH value from 2 to 4 within 24 hours).

  本发明提供了一种新型的磷酸三酯化核糖核酸化合物，对于寡核苷酸的液相合成非常重要。本发明的核糖核酸化合物的例子可能包括以下通式所代表的核糖核酸化合物：（其中B代表腺嘌呤、鸟嘌呤、胞嘧啶或尿嘧啶或其修饰形式；R21代表可以被取代的芳基或可以被取代的单环或双环杂环基团；R20代表氢或可以被取代的烷基；R1代表保护基，在pH值为2至4的酸性条件下，在24小时内在0℃至60℃的温度范围内可以去除90％或更多的保护基）。