2-氯-N-(1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基)丙酰胺 | 101937-73-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-氯-N-(1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基)丙酰胺
• 中文别名: 2-氯-N-(1,5-二甲基-3-氧代-2-苯基-4-吡唑)丙酰胺；2-氯-N-(1,5-二甲基-3-氧代-2-苯基-吡唑-4-基)丙酰胺；2-氯-N-(3-氧代-1,5-二甲基-2-苯基-吡唑-4-基)丙酰胺
• 英文名称: 4-(α-chloropropionyl)amino-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole
• 英文别名: 2-chloro-propionic acid-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamide)；2-Chlor-propionsaeure-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamid)；2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide；2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
• CAS: 101937-73-9
• 化学式: C₁₄H₁₆ClN₃O₂
• 分子量: 293.753
• InChiKey: MORLKTUKTJISOL-UHFFFAOYSA-N

物化性质

• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  2-氯-N-(1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基)丙酰胺 、 二甲胺 在 苯 作用下， 生成 氨丙吡酮
  参考文献：
  名称：

  Takahashi et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 1431,1432

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯丙酰氯 、 4-氨基安替比林 在 氯仿 、 potassium carbonate 作用下， 生成 2-氯-N-(1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基)丙酰胺
  参考文献：
  名称：

  Takahashi et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 1431,1432

  摘要：

  DOI：

文献信息

• Synthesis, Characterization, and Evaluation of Antimicrobial Activity of Some 1,2,4-Triazole Derivatives Bearing an Antipyryl Moiety
  作者：Nuray Ulusoy、�znur Ate?、�mer K���kbasmac?、Muammer Kiraz、Y?ld?z Ye?eno?lu

  DOI：10.1007/s00706-002-0546-z

  日期：2003.2.1

  Some novel 4-[[2-[[5-(2-furanyl)-4-alkyl/aryl-4H-1,2,4-triazol-3-yl]thio]-acetyl/propionyl] -amino]-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazoles were synthesized and evaluated for in vitro antibacterial activity against Staphylococcus aureus ATCC 29213, Pseudomonas aeruginosa ATCC 27853, Escherichia coli ATCC 25922, and Enterococcus faecalis ATCC 29212 and antifungal activity against Candida albicans ATCC 10231, Candida parapsilosis ATCC 22019, Candida krusei ATCC 6258, Candida parapsilosis, Trichophyton mentagrophytes var. erinacei NCPF 375, Microsporum gypseum NCPF 580, and Trichophyton rubrum using the microbroth dilution method. All of the compounds were found to be ineffective against the above bacteria within the applied MIC ranges. On the other hand, they were effective against fungi to different degrees. Three compounds showed high activity against C. parapsilosis and T mentagrophytes var erinacei NCPF 375 (MIC = 8 mug cm(-3)). The in vitro antimycobacterial activity of the new compounds was also investigated against Mycobacterium tuberculosis H37RV (ATCC 27294) in BACTEC 12B medium using a broth microdilution assay, the Microplate Alamar Blue Assay (MABA). Compounds exhibiting fluorescence were tested in the BACTEC 460 radiometric system. The most active compound was found with 66% inhibition at > 6.25 mug cm(-3).