(7CI,8CI,9CI)-嘧啶并[4,5-d]吡嗪 | 253-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: (7CI,8CI,9CI)-嘧啶并[4,5-d]吡嗪
• 中文别名: 嘧啶并[4,5-d]吡嗪
• 英文名称: Pyrimido[4,5-d]pyridazine
• CAS: 253-88-3
• 化学式: C₆H₄N₄
• 分子量: 132.12
• InChiKey: KXNFMBIDXYJDEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME<br/>[FR] INHIBITEURS DE DCN1 À PETITES MOLÉCULES ET PROCÉDÉS THÉRAPEUTIQUES LES UTILISANT
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2018183411A1

  公开（公告）日：2018-10-04

  Compounds of formula (I) as inhibitors of DCNl and compositions containing the same are disclosed. Methods of using the DCNl inhibitors in the treatment of diseases and conditions wherein inhibition of DCNl provides a benefit, like oxidative stress-related diseases and conditions, neurodegenerative diseases and conditions, metabolic disorders, and muscular nerve degeneration, also are disclosed.

  公式（I）的化合物被披露为DCNl的抑制剂，以及含有这些化合物的组合物。还披露了在治疗疾病和病况中使用DCNl抑制剂的方法，其中DCNl的抑制提供益处，如氧化应激相关的疾病和病况、神经退行性疾病和病况、代谢紊乱以及肌肉神经退化。
• Covalent Small Molecule DCN1 Inhibitors and Therapeutic Methods Using the Same
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US20180289677A1

  公开（公告）日：2018-10-11

  Small molecule covalent inhibitors of DCN1 and compositions containing the same are disclosed. Methods of using the DCN1 covalent inhibitors in the treatment of diseases and conditions wherein inhibition of DCN1 provides a benefit, like oxidative stress-related diseases and conditions, neurodegenerative diseases and conditions, metabolic disorders, and muscular nerve degeneration, also are disclosed.

  揭示了DCN1的小分子共价抑制剂和含有这些抑制剂的组合物。还揭示了在治疗疾病和状况中使用DCN1共价抑制剂的方法，其中DCN1的抑制提供益处，如氧化应激相关的疾病和状况、神经退行性疾病和状况、代谢紊乱以及肌肉神经退化。
• [EN] MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE<br/>[FR] MONOBACTAMES ET PROCÉDÉS DE SYNTHÈSE ET D'UTILISATION DE CES DERNIERS
  申请人：HARVARD COLLEGE

  公开号：WO2015103583A1

  公开（公告）日：2015-07-09

  Described herein are monobactam antibiotics of Formula (I), (Ι'), (II), and (II'), along with methods and intermediates for preparing these compounds. Pharmaceutical compositions and methods of treating infectious diseases using the monobactams are also provided.

  本文描述了单环内酰胺抗生素的化学式(I)、(Ι')、(II)和(II')，以及制备这些化合物的方法和中间体。还提供了使用单环内酰胺治疗传染病的药物组合物和方法。
• Electrochromic devices
  申请人：CHEVRON RESEARCH AND TECHNOLOGY COMPANY

  公开号：EP0145337A2

  公开（公告）日：1985-06-19

  An electrochromic device (10) incorporates a reversibly colour-changing organic polymer film (20) as part of the display electrode. The display polymer film (20) is capable of undergoing reversible oxidation and/or reduction to a charged, coloured, conductive state. Upon reversing the charge, the polymer returns to its virgin colour. The display films are comprised of linear fused heterocyclic ring systems, optionally with connecting units, or linear monocyclic ring systems and connecting units. The device requires low currents to operate and switch from the virgin state to the coloured state. It also can optionally be operated to exhibit several colours.

  一种电致变色装置（10）将可逆变色有机聚合物薄膜（20）作为显示电极的一部分。 显示聚合物薄膜（20）能够进行可逆氧化和/或还原，变成带电、有色、导电的状态。 一旦电荷反转，聚合物就会恢复原色。 显示薄膜由线性融合杂环环系统（可选择带连接单元）或线性单环环系统和连接单元组成。 该装置只需较低的电流即可运行并从原色状态切换到有色状态。 它还可选择运行以显示多种颜色。
• Condensed pyrimidine derivates
  申请人：DowElanco

  公开号：EP0414386A1

  公开（公告）日：1991-02-27

  Compounds of the formula (1): wherein one or two of A, B, E, or D are N, and the others are CR¹ or A, E, and D are N and B is CR¹; where R¹ and R² are independently H, halo, (C₁-C₄) alkyl, (C₃-C₄) branched alkyl, (C₁-C₄) alkoxy, halo (C₁-C₄) alkyl, phenyl, or substituted phenyl; X is O, S, SO, SO₂, NR³, or CR⁴R⁵, where R³ is H, (C₁-C₄) alkyl, or (C₁-C₄) acyl, and R⁴ and R⁵ are in­dependently H, (C₁-C₄) acyl, (C₁-C₄) alkyl, (C₂-C₄) alk­enyl or -alkynyl, CN, or OH, or R⁴ and R⁵ combine to form a carbocyclic ring containing four to six carbon atoms; Y is a bond or an alkylene chain one to six carbon atoms long, optionally including a carbocyclic ring, and optionally including a hetero atom selected from O, NR³, S, SO, SO₂, or SiR²⁰R²¹, where R³ is as de­fined above and R²⁰ and R²¹ are independently (C₁-C₄) alkyl, (C₃-C₄) branched alkyl, phenyl, or substituted phenyl, and optionally substituted with (C₁-C₄) alkyl, (C₂-C₄) alkenyl or -alkynyl, branched (C₃-C₇) alkyl, (C₃-C₇) cycloalkyl or -cycloalkenyl, halo, hydroxy, or acetyl, and Z is (a) a C₁-C₁₂ saturated or unsaturated hydro­carbon chain, straight chain or branched optionally in­cluding a hetero atom selected from O, S, SO, SO₂, or SiR²⁰R²¹, where R²⁰ and R²¹ are as defined above, and optionally substituted with halo, halo (C₁-C₄) alkoxy, hydroxy, (C₃-C₈) cycloalkyl or cycloalkenyl, or (C₁-C₄) acyl; (b) (C₃-C₈) cycloalkyl or cycloalkenyl, option­ally substituted with (C₁-C₄) alkyl, (C₁-C₄) alkoxy, halo (C₁-C₄) alkyl, halo (C₁-C₄) alkoxy, halo, hydroxy, or (C₁-C₄) acyl; (c) a phenyl group of the formula (2) where R⁶ to R¹⁰ are independently H. halo, I, (C₁-C₁₀) alkyl, (C₃-C₈) alkenyl or -alkynyl, branched (C₃-C₆) alkyl, -alkenyl, or -alkynyl, (C₃-C₈) cycloalkyl or -cycloalkenyl, ha]o (C₁-C₇) alkyl, (C₁-C₇) alkoxy, (C₁-C₇) alkylthio, halo (C₁-C₇) alkoxy, phenoxy, substituted phenoxy, phenyl­thio, substituted phenylthio, phenyl, substituted phenyl, NO₂, acetoxy, OH, CN, SiR¹¹R¹²R¹³, OSiR¹¹R¹²R¹³, NR¹⁴R¹⁵, S(O)R¹⁶, or SO₂R¹⁷ where R¹¹, R¹², and R¹³ are independ­ently (C₁-C₄) alkyl, (C₃-C₄) branched alkyl, phenyl, or substituted phenyl, R¹⁴ and R¹⁵ are independently H, (C₁-C₄) alkyl, or (C₁-C₄) acyl, and R¹⁶ and R¹⁷ are (C₁-C₁₀) alkyl, phenyl, or substituted phenyl; (d) a furyl group of formula (3) where R¹⁸ is H, halo, halomethyl, CN, NO₂, (C₁-C₄) alkyl, (C₃-C₄) branched alkyl, phenyl, or (C₁-C₄) alkoxy; (e) a thienyl group of the formula (4) where R¹⁸ is as defined in paragraph (d); (f) a group of formula (5) or (6) where R¹⁸ is as defined in paragraph (d), J is N or CH, and G is O, NR¹⁹, or S, provided that if J is not N then G is NR¹⁹, where R¹⁹ is H, (C₁-C₄) alkyl, (C₁-C₄) acyl, phenylsulfonyl, or substituted phenylsulfonyl; (g) a group selected from optionally substituted naphthyl, dihydro­naphthyl, tetrahydronaphthyl, and decahydronaphthyl; optionally substituted pyridyl; optionally substituted indolyl; and 1,3-benzodioxolyl; or an acid addition salt of a compound of formula (1) are plant fungicides, miticides, and insecticides.

  式(1)化合物： 其中 A、B、E 或 D 中的一个或两个为 N，其它为 CR¹，或 A、E 和 D 为 N，B 为 CR¹；其中 R¹ 和 R² 独立地为 H、卤素、(C₁-C₄) 烷基、(C₃-C₄) 支链烷基、(C₁-C₄) 烷氧基、卤代 (C₁-C₄) 烷基、苯基或取代苯基； X 是 O、S、SO、SO₂、NR³ 或 CR⁴R⁵，其中 R³ 是 H、(C₁-C₄)烷基或 (C₁-C₄)酰基，R⁴ 和 R⁵ 独立地是 H、(C₁-C₄)酰基、(C₁-C₄)烷基、(C₂-C₄)烯基或-炔基、CN 或 OH，或 R⁴ 和 R⁵ 结合形成含 4 至 6 个碳原子的碳环； Y 是键或长度为一至六个碳原子的亚烷基链，可选择包括碳环，也可选择包括选自 O、NR³、S、SO、SO₂ 或 SiR²⁰R²¹ 的杂原子，其中 R³ 如上定义，R²⁰ 和 R²¹ 独立为 (C₁-C₄) 烷基、(C₃-C₄)支链烷基、苯基或取代苯基，并可选择被 (C₁-C₄) 烷基取代、(C₂-C₄) 烯基或-炔基、支链 (C₃-C₇) 烷基、(C₃-C₇) 环烷基或-环烯基、卤代、羟基或乙酰基取代，以及 Z 是 (a) C₁-C₁₂ 饱和或不饱和烃链，直链或支链，任选包括选自 O、S、SO、SO₂ 或 SiR²⁰R²¹ 的杂原子、其中 R²⁰ 和 R²¹ 如上文所定义，并任选被卤素、卤代 (C₁-C₄) 烷氧基、羟基、(C₃-C₈) 环烷基或环烷烯基或 (C₁-C₄)酰基取代； (b) (C₃-C₈) 环烷基或环烯基，可任选被 (C₁-C₄) 烷基、(C₁-C₄) 烷氧基、卤代 (C₁-C₄) 烷基、卤代 (C₁-C₄) 烷氧基、卤代、羟基或 (C₁-C₄) 丙烯酸基取代； (c) 式 (2) 的苯基 其中 R⁶ 至 R¹⁰ 独立地为 H。卤素、I、(C₁-C₁₀)烷基、(C₃-C₈)烯基或-炔基、支链(C₃-C₆)烷基、-烯基或-炔基、(C₃-C₈)环烷基或-环烯基、ha]o (C₁-C₇)烷基、(C₁-C₇)烷氧基、(C₁-C₇)烷硫基、卤代(C₁-C₇)烷氧基、苯氧基、取代苯氧基、苯硫基、取代苯硫基、苯基、取代苯基、NO₂、乙酰氧基、OH、CN、SiR¹R¹²R¹³、OSiR¹R¹²R¹³、NR¹⁴R¹⁵、S(O)R¹⁶或 SO₂R¹⁷，其中 R¹¹、R¹² 和 R¹³ 独立为 (C₁-C₄) 烷基、(C₃-C₄) 支链烷基、苯基、或取代苯基，R¹⁴和 R¹⁵ 独立地为 H、(C₁-C₄) 烷基或 (C₁-C₄)酰基，且 R¹⁶ 和 R¹⁷ 为 (C₁-C₁₀) 烷基、苯基或取代苯基； (d) 式 (3) 的呋喃基团 其中 R¹⁸ 是 H、卤代、卤代甲基、CN、NO₂、(C₁-C₄) 烷基、(C₃-C₄) 支链烷基、苯基或 (C₁-C₄) 烷氧基； (e) 式 (4) 的噻吩基团 其中 R¹⁸ 如(d)段所定义； (f) 式(5)或(6)的基团 其中 R¹⁸ 如(d)段所定义，J 是 N 或 CH，G 是 O、NR¹⁹ 或 S，但如果 J 不是 N，则 G 是 NR¹⁹，其中 R¹𠞙 是 H、(C₁-C₄)烷基、(C₁-C₄)酰基、苯磺酰基或取代的苯磺酰基； (g) 选自以下的基团 任选取代的萘基、二氢萘基、四氢萘基和十氢萘基； 任选取代的吡啶基 任选取代的吲哚基 和 1,3-苯并二氧戊环； 或式（1）化合物的酸加成盐 是植物杀真菌剂、杀螨剂和杀虫剂。