3,5-dichloro-1H-pyrazole | 220030-06-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 3,5-dichloro-1H-pyrazole
• CAS: 220030-06-8
• 化学式: C₃H₂Cl₂N₂
• 分子量: 136.968
• InChiKey: WAFQHKYFSGWXQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5-dichloro-1H-pyrazole 、 在 N,N-二异丙基乙胺 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以58%的产率得到3-(2-((3,5-dichloro-1H-pyrazol-1-yl)methyl)-7-methyl-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl)propanenitrile
  参考文献：
  名称：

  Discovery of Pyrazolo[1,5-a]pyrazin-4-ones as Potent and Brain Penetrant GluN2A-Selective Positive Allosteric Modulators Reducing AMPA Receptor Binding Activity

  摘要：

  DOI：

  10.1016/j.bmc.2021.116576
• 作为产物：
  描述：

  3,5-dichloro-N,N-dimethyl-1H-pyrazole-1-sulfonamide 在 三氟乙酸 作用下， 反应 1.5h， 生成 3,5-dichloro-1H-pyrazole
  参考文献：
  名称：

  WO2008/91594

  摘要：

  公开号：

文献信息

• Fungicidal Carboxamides
  申请人：Bisaha John Joseph

  公开号：US20110269712A1

  公开（公告）日：2011-11-03

  This invention is directed to compounds of Formula (1) including all geometric and stereoisomers, N oxides, and agriculturally suitable salts thereof, agricultural compositions containing them and their use as fungicides, (1) provided that the compound of Formula 1 is other than 2-[1-[(2-chlorophenyl)acetyl]-4-piperidinyl]-N-methyl-N-[(1R)-1-phenylethyl]-4-thiazolecarboxamide and R 1 is other than 4-fluorophenyl; wherein R 1 , R 2 , A, G, Q, W 1 , W 2 , X and n are otherwise as defined in the disclosure, Also disclosed are compositions containing the a compound having a formula corresponding to Formula (1) where the provisos are both omitted; and methods for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound having a formula corresponding to Formula (1) where the provisos are both omitted.

  本发明涉及公式（1）的化合物，包括所有几何和立体异构体、N-氧化物和农业适用的盐，以及包含它们的农业组成物和它们作为杀真菌剂的用途，（1）前提是公式1的化合物不是2-[1-[(2-氯苯基)乙酰基]-4-哌啶基]-N-甲基-N-[(1R)-1-苯乙基]-4-噻唑羧酰胺，且R1不是4-氟苯基；其中R1、R2、A、G、Q、W1、W2、X和n的定义如本公开说明书中所定义，还披露了含有与省略前提条件的公式（1）相对应的化合物的组合物；以及用公式（1）相应的化合物控制由真菌植物病原体引起的植物病害的方法，其中涉及施用有效量的公式（1）相应的化合物，省略前提条件。
• Fungicidal carboxamides
  申请人：Bisaha John Joseph

  公开号：US08586611B2

  公开（公告）日：2013-11-19

  This invention is directed to compounds of Formula (1) including all geometric and stereoisomers, N oxides, and agriculturally suitable salts thereof, agricultural compositions containing them and their use as fungicides, (1) provided that the compound of Formula 1 is other than 2-[1-[(2-chlorophenyl)acetyl]-4-piperidinyl]-N-methyl-N-[(1R)-1-phenylethyl]-4-thiazolecarboxamide and R1 is other than 4-fluorophenyl; wherein R1, R2, A, G, Q, W1, W2, X and n are otherwise as defined in the disclosure, Also disclosed are compositions containing the a compound having a formula corresponding to Formula (1) where the provisos are both omitted; and methods for controlling plant diseases caused by fungal plant pathogens which involves applying an effective amount of a compound having a formula corresponding to Formula (1) where the provisos are both omitted.

  本发明涉及公式（1）的化合物，包括所有几何和立体异构体，N-氧化物以及农业适用的盐，以及包含它们的农业组合物和它们作为杀真菌剂的用途，（1）前提是公式1的化合物不同于2-[1-[(2-氯苯基)乙酰]-4-哌啶基]-N-甲基-N-[(1R)-1-苯乙基]-4-噻唑羧酰胺，R1不同于4-氟苯基；其中R1，R2，A，G，Q，W1，W2，X和n的定义如本公开说明书所述，还披露了含有与省略前提符合公式（1）的化合物相对应的公式的组合物；以及通过施用与省略前提符合公式（1）的化合物相对应的化合物的有效量来控制由真菌植物病原体引起的植物病害的方法。
• Design and synthesis of 6-methylpyridin-2-one derivatives as novel and potent GluN2A positive allosteric modulators for the treatment of cognitive impairment
  作者：Takafumi Yukawa、Tohru Yamashita、Toshihiro Imaeda、Hiroyuki Kakei、Shogo Hashizume、Minoru Nakamura、Masaki Daini、Atsutoshi Okabe、Kosuke Nakashima、Akina Harada、Naohiro Narita、Ezio Bettini、Annarosa Ugolini、Mauro Corsi、Tomoaki Hasui

  DOI：10.1016/j.bmc.2022.117150

  日期：2023.2

  through in silico-based screening of virtual ligands with various monocyclic scaffolds. GluN2A PAM activity was increased by introduction of a methyl group at the 6-position of the pyridin-2-one ring and a cyano group in the side chain. Modification of the aromatic ring led to the identification of potent and brain-penetrant 6-methylpyridin-2-one 17 with a negligible binding activity for α-amino-3

  N -甲基-D-天冬氨酸受体 (NMDAR) 是中枢神经系统突触可塑性的关键调节因子。含有 GluN2A 亚基的 NMDARs 的增强最近被认为是一种有前途的神经系统疾病治疗方法。我们确定了一系列具有 pyridin-2-one 支架的新型 GluN2A 正变构调节剂 (PAM)。最初的先导化合物1是通过基于计算机的虚拟配体筛选与各种单环骨架发现的。GluN2A PAM 活性通过在 pyridin-2-one 环的 6 位引入甲基和在侧链引入氰基来增加。芳香环的修饰导致鉴定出有效的脑渗透剂 6-methylpyridin-2-one 17对 α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors (AMPAR) 的结合活性可忽略不计。口服17显着增强大鼠海马长时程增强 (LTP)。因此，17将是一种有用的体内药理学工具，用于研究复杂的
• [EN] FUNGICIDAL CARBOXAMIDES<br/>[FR] CARBOXAMIDES FONGICIDES
  申请人：DU PONT

  公开号：WO2007014290A3

  公开（公告）日：2007-06-07
• ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF
  申请人：[en]PLIANT THERAPEUTICS, INC.

  公开号：WO2024145245A2

  公开（公告）日：2024-07-04

  The disclosure relates to compounds of formula (A) and formula (I), e.g.: (I) or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, L1, L2, L3, Y, and Q are as described herein. Compounds of formula (A) and formula (I) and pharmaceutical compositions thereof are inhibitors of at least one or more of avPs, avPi, and avPe integrins. Also disclosed are methods for treating fibrosis such as nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP), and cancer comprising administration of the compounds and pharmaceutical compositions thereof.