5-methoxy-2-thioxodihydropyrimidine-4,6(1H,5H)-dione | 7421-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-methoxy-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
• 英文别名: 5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 7421-45-6
• 化学式: C₅H₆N₂O₃S
• 分子量: 174.18
• InChiKey: PNBFFPDDASXVPO-UHFFFAOYSA-N

物化性质

• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methoxy-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 在 sodium hydroxide 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 乙醇 、 水 为溶剂， 反应 35.0h， 生成 6-chloro-N-(4-chlorophenyl)-2-(ethylthio)-5-methoxypyrimidin-4-amine
  参考文献：
  名称：

  [EN] NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES
  [FR] NOUVELLE UTILISATION DE PYRIMIDINE - OU TRIAZINE- 2-CARBONITILES DESTINES AU TRAITEMENT DE MALADIES LIEES A L'ACTIVITE DE PROTEASE A CYSTEINE ET NOUVEAUX DERIVES DE PYRIMIDINE-2-CARBONITILE

  摘要：

  因此，本发明提供了一种使用化合物(I)和组合物治疗与半胱氨酸蛋白酶活性相关疾病的方法。这些化合物是半胱氨酸蛋白酶S、K、F、L和B的可逆抑制剂。特别感兴趣的是与S半胱氨酸蛋白酶相关的疾病。此外，本发明还揭示了制备这些抑制剂的方法。

  公开号：

  WO2004000819A1
• 作为产物：
  描述：

  甲氧基马来酸二甲酯 、 硫脲 在 sodium 作用下， 以 甲醇 为溶剂， 反应 10.0h， 生成 5-methoxy-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
  参考文献：
  名称：

  [EN] NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES
  [FR] NOUVELLE UTILISATION DE PYRIMIDINE - OU TRIAZINE- 2-CARBONITILES DESTINES AU TRAITEMENT DE MALADIES LIEES A L'ACTIVITE DE PROTEASE A CYSTEINE ET NOUVEAUX DERIVES DE PYRIMIDINE-2-CARBONITILE

  摘要：

  因此，本发明提供了一种使用化合物(I)和组合物治疗与半胱氨酸蛋白酶活性相关疾病的方法。这些化合物是半胱氨酸蛋白酶S、K、F、L和B的可逆抑制剂。特别感兴趣的是与S半胱氨酸蛋白酶相关的疾病。此外，本发明还揭示了制备这些抑制剂的方法。

  公开号：

  WO2004000819A1

文献信息

• [EN] RHO KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA RHO KINASE
  申请人：KADMON CORP LLC

  公开号：WO2015054317A1

  公开（公告）日：2015-04-16

  The invention provides novel inhibitors of ROCK1 and/or ROCK2. Also provided are methods of treating diseases and disorders involving inhibiting ROCK1 and/or ROCK2. The present invention includes pharmaceutical compositions comprising the compounds of the invention and a pharmaceutically acceptable carrier and/or diluents. The present invention includes compositions comprising a substantially pure compound of the invention and a pharmaceutically acceptable salt, steroisomer, or hydrate thereof: and a pharmaceutically acceptable excipient and/or diluents.

  该发明提供了新型ROCK1和/或ROCK2的抑制剂。还提供了涉及抑制ROCK1和/或ROCK2的治疗疾病和疾病的方法。本发明包括包含所述化合物的药物组合物和药学上可接受的载体和/或稀释剂。本发明包括包含本发明的基本纯化化合物和药学上可接受的盐、立体异构体或水合物的组合物：以及药学上可接受的赋形剂和/或稀释剂。
• New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives
  申请人：Bailey Andrew

  公开号：US20050222152A1

  公开（公告）日：2005-10-06

  The present invention therefore provides use of a compound of formula (I) and compositions for treating diseases associated with cysteine protease activity. The compounds are reversible inhibitors of cysteine proteases S, K, F, L and B. Of particular interest are diseases associated with Cathepsin S. In addition, this invention also discloses processes for the preparation of such inhibitors.

  因此，本发明提供了使用式(I)化合物和组合物治疗与半胱氨酸蛋白酶活性相关的疾病。该化合物是半胱氨酸蛋白酶S、K、F、L和B的可逆抑制剂。特别感兴趣的是与猫hepsin S相关的疾病。此外，本发明还揭示了制备这种抑制剂的过程。
• Thermally stable molecules with large dipole moments and polarizabilities and applications thereof
  申请人：California Institute of Technology

  公开号：US06402994B1

  公开（公告）日：2002-06-11

  Disclosed are fused ring bridge, ring-locked dyes that form thermally stable photorefractive compositions. The fused ring bridge structures are &pgr;-conjugated bonds in benzene-, naphthalene- or anthracene-derived fused ring systems that connect donor and acceptor groups. The donor and acceptor groups contribute to a high molecular dipole moment and linear polarizability anisotropy. The polarization characteristics of the dye molecules are stabilized since the bonds in the fused ring bridge are not susceptible to rotation, reducing the opportunity for photoisomerization. The dyes are compatible with polymeric compositions, including thermoplastics. The dyes are electrically neutral but have charge transport, electronic and orientational properties such that upon illumination of a composition containing the dye, the dye facilitates refractive index modulation and a photorefractive effect that can be utilized advantageously in numerous applications such as in optical quality devices and biological imaging.

  本发明涉及一种融合环桥、环锁定染料，形成热稳定的光折变组合物。所述融合环桥结构是苯、萘或蒽衍生的融合环系统中的π-共轭键，连接给体和受体基团。给体和受体基团有助于高分子偶极矩和线性偏振各向异性。染料分子的极化特性得到稳定，因为融合环桥中的键不易旋转，减少了光异构化的机会。该染料与聚合物组合物相容，包括热塑性聚合物。该染料是电中性的，但具有电荷传输、电子和取向性质，因此在含有该染料的组合物照明时，该染料促进折射率调制和光折变效应，可在许多应用中得到优越的应用，如光学质量器件和生物成像。
• Use of pyrimidine—or triazine—2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives
  申请人：AstraZeneca AB

  公开号：US07125881B2

  公开（公告）日：2006-10-24

  The present invention therefore provides use of a compound of formula (I) and compositions for treating diseases associated with cysteine protease activity. The compounds are reversible inhibitors of cysteine proteases S, K, F, L and B. Of particular interest are diseases associated with Cathepsin S. In addition, this invention also discloses processes for the preparation of such inhibitors

  因此，本发明提供了使用式（I）化合物和组合物治疗与半胱氨酸蛋白酶活性相关的疾病。这些化合物是半胱氨酸蛋白酶S、K、F、L和B的可逆抑制剂。特别感兴趣的是与Cathepsin S相关的疾病。此外，本发明还揭示了制备这些抑制剂的方法。
• Process of changing the refractive index of a composite containing a
  申请人：California Institute of Technology

  公开号：US06090332A1

  公开（公告）日：2000-07-18

  Fused ring bridge, ring locked dyes that form thermally stable photorfractive compositions. The fused ring bridge structures are .pi.-conjugated bonds in benzene-, naphthalene- or anthracene-derived fused ring systems that connect donor and acceptor groups. The donor and acceptor groups contribute to a high molecular dipole moment and linear polarizability anisotropy. The polarization characteristics of the dye molecules are stabilized since the bonds in the fused ring bridge are not susceptible to rotation, reducing the opportunity for photoisomerization. The dyes are compatible with polymeric compositions, including thermoplastics. The dyes are electrically neutral but have charge transport, electronic and orientational properties such that upon illumination of a composition containing the dye, the dye facilitates refractive index modulation and a photorefractive effect that can be utilized advantageously in numerous applications such as in optical quality devices and biological imaging.

  融合环桥，环锁染料形成热稳定的光折变组分。融合环桥结构是苯、萘或蒽衍生的融合环系统中的.pi.-共轭键，连接给体和受体基团。给体和受体基团有助于高分子偶极矩和线性极化各向异性。染料分子的极化特性得到稳定，因为融合环桥中的键不容易旋转，减少了光异构化的机会。这些染料与聚合物组分兼容，包括热塑性材料。这些染料是电中性的，但具有电荷传输、电子和取向性能，因此在含有染料的组分照明时，染料促进折射率调制和光折变效应，可在许多应用中优势使用，如光学品质器件和生物成像。