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6-溴苯并噻唑-2-胺单氢溴酸盐 | 63450-94-2

中文名称
6-溴苯并噻唑-2-胺单氢溴酸盐
中文别名
——
英文名称
6-bromo-benzothiazol-2-ylamine; hydrobromide
英文别名
6-Brom-benzothiazol-2-ylamin; Hydrobromid;6-bromo-1,3-benzothiazol-2-amine;hydron;bromide
6-溴苯并噻唑-2-胺单氢溴酸盐化学式
CAS
63450-94-2
化学式
BrH*C7H5BrN2S
mdl
——
分子量
310.012
InChiKey
JBTTWMJFVHXKNR-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.22
  • 重原子数:
    12
  • 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:
    67.2
  • 氢给体数:
    2
  • 氢受体数:
    3

SDS

SDS:39af8f620fa8180c1152f0d6513c6900
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反应信息

  • 作为反应物:
    参考文献:
    名称:
    In vitroBiological Investigations of Novel Piperazine Based Heterocycles
    摘要:
    本研究采用简单高效的方法合成了 11 种 N-苯基和 11 种 N-苯并噻唑基-2-(4-(2,3,4-三甲氧基苄基)哌嗪-1-基)乙酰胺。测试了这 22 种新型化合物对两种革兰氏阳性菌、三种革兰氏阴性菌、两种真菌和结核分枝杆菌 H37Rv 的体外生物效力。生物测定结果表明,大多数 N-苯并噻唑取代的哌嗪衍生物具有中等至良好的生物效力,其 MIC 值令人鼓舞。本文讨论了芳基乙酰胺分子上是否存在各种吸电子或供电子官能团对不同生物测定结果的影响。
    DOI:
    10.3184/174751914x14116443659287
  • 作为产物:
    描述:
    参考文献:
    名称:
    Synthesis and antioxidant activity of quinolinobenzothiazinones
    摘要:
    A new series of structurally diverse quinolinobenzothiazinones has been synthesized with the annulation of heterocyclic structural pharmacophores. The synthesized quinolinobenzothiazinones have been evaluated for their antioxidant (LPO & GSH) and radical scavenging activities (DPPH and ABTS assays). (C) 2010 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2010.07.006
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文献信息

  • Benzothiazole Incorporated Barbituric Acid Derivatives: Synthesis and Anticonvulsant Screening
    作者:Nadeem Siddiqui、Waquar Ahsan
    DOI:10.1002/ardp.200900002
    日期:2009.8
    3‐benzothiazol‐2‐yl)‐3‐(substituted phenyl)hexahydro‐2,4,6‐pyrimidinetriones 4a–t were synthesized starting from substituted anilines. These compounds contained two active anticonvulsant pharmacophores, benzothiazole and barbituric acid. Structures of the compounds were confirmed on the basis of different spectroscopic techniques. All the compounds were evaluated for their anticonvulsant activity. Three
    以取代苯胺为原料合成了一系列1-(6-取代-1,3-苯并噻唑-2-基)-3-(取代苯基)六氢-2,4,6-嘧啶三酮4a-t。这些化合物含有两种活性抗惊厥药效团,苯并噻唑和巴比妥酸。基于不同的光谱技术确认了化合物的结构。评价所有化合物的抗惊厥活性。三种化合物 4c、4d 和 4s 在最大电击癫痫试验 (MES) 和皮下戊四唑试验 (scPTZ) 中显示出有希望的抗惊厥活性。在进行最小运动损伤测试时,它们还显示出广泛的安全性。
  • Hunter, Journal of the Chemical Society, 1926, p. 1397,1400
    作者:Hunter
    DOI:——
    日期:——
  • Synthesis of coumarin-based 1,3,4-oxadiazol-2ylthio-N-phenyl/benzothiazolyl acetamides as antimicrobial and antituberculosis agents
    作者:Rahul V. Patel、Premlata Kumari、Dhanji P. Rajani、Kishor H. Chikhalia
    DOI:10.1007/s00044-012-0026-x
    日期:2013.1
    In an attempt to find new agents to fight against microbial infections, a series of coumarin-based 1,3,4-oxadiazol-2ylthio-N-phenyl/benzothiazolyl acetamides was synthesized starting from coumarin-3-carboxylic acid ethyl ester obtained through Knoevenagel and Pinner reaction. In vitro antimicrobial activity against several bacteria (S. aureus, B. cereus, E. coli, P. aeruginosa, K. pneumoniae, S. typhi, P. vulgaris, S. flexneri), fungi (A. niger, A. fumigatus, A. clavatus, C. albicans) and antimycobacterial activity against Mycobacterium tuberculosis H37Rv strain was assessed. This study shows to what extent the presence of various electron withdrawing/donating substituents on the phenyl or benzothiazole ring affects the activity profiles of the newer molecules. The relationship between activity profiles (MICs, 3.12-25 mu g/mL) and the lipophilic character (LogP) of the prepared products is also discussed and the MIC values of the active conjugates seem to correlate to some extent with the lipophilicity profiles. Two (5e and 6c) of the final analogues displayed promising antimycobacterial activity at 12.5 mu g/mL of MIC, half fold potent to the standard drug pyrazinamide (6.25 mu g/mL). Compounds were characterized by IR, H-1 NMR, C-13 NMR spectroscopy and elemental analysis.
  • Hugershoff, Chemische Berichte, 1901, vol. 34, p. 3133
    作者:Hugershoff
    DOI:——
    日期:——
  • Synthesis and antioxidant activity of quinolinobenzothiazinones
    作者:M. Kumar、Kshitija Sharma、R.M. Samarth、A. Kumar
    DOI:10.1016/j.ejmech.2010.07.006
    日期:2010.10
    A new series of structurally diverse quinolinobenzothiazinones has been synthesized with the annulation of heterocyclic structural pharmacophores. The synthesized quinolinobenzothiazinones have been evaluated for their antioxidant (LPO & GSH) and radical scavenging activities (DPPH and ABTS assays). (C) 2010 Elsevier Masson SAS. All rights reserved.
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同类化合物

(1Z)-1-(3-乙基-5-羟基-2(3H)-苯并噻唑基)-2-丙酮 齐拉西酮砜 阳离子蓝NBLH 阳离子荧光黄4GL 锂2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 铜酸盐(4-),[2-[2-[[2-[3-[[4-氯-6-[乙基[4-[[2-(硫代氧代)乙基]磺酰]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-2-(羟基-kO)-5-硫代苯基]二氮烯基-kN2]苯基甲基]二氮烯基-kN1]-4-硫代苯酸根(6-)-kO]-,(1:4)氢,(SP-4-3)- 铜羟基氟化物 钾2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 钠3-(2-{(Z)-[3-(3-磺酸丙基)-1,3-苯并噻唑-2(3H)-亚基]甲基}[1]苯并噻吩并[2,3-d][1,3]噻唑-3-鎓-3-基)-1-丙烷磺酸酯 邻氯苯骈噻唑酮 西贝奈迪 螺[3H-1,3-苯并噻唑-2,1'-环戊烷] 螺[3H-1,3-苯并噻唑-2,1'-环己烷] 葡萄属英A 草酸;N-[1-[4-(2-苯基乙基)哌嗪-1-基]丙-2-基]-2-丙-2-基氧基-1,3-苯并噻唑-6-胺 苯酰胺,N-2-苯并噻唑基-4-(苯基甲氧基)- 苯酚,3-[[2-(三苯代甲基)-2H-四唑-5-基]甲基]- 苯胺,N-(3-苯基-2(3H)-苯并噻唑亚基)- 苯碳杂氧杂脒,N-1,2-苯并异噻唑-3-基- 苯甲基2-甲基哌啶-1,2-二羧酸酯 苯并噻唑正离子,2-[3-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)-1-丙烯-1-基]-3-乙基-,碘化(1:1) 苯并噻唑正离子,2-[(2-乙氧基-2-羰基乙基)硫代]-3-甲基-,溴化 苯并噻唑啉 苯并噻唑-d4 苯并噻唑-6-腈 苯并噻唑-5-羧酸 苯并噻唑-5-硼酸频哪醇酯 苯并噻唑-4-醛 苯并噻唑-4-乙酸 苯并噻唑-2-磺酸钠 苯并噻唑-2-磺酸 苯并噻唑-2-磺酰氟 苯并噻唑-2-甲醛 苯并噻唑-2-甲酸 苯并噻唑-2-甲基甲胺 苯并噻唑-2-基磺酰氯 苯并噻唑-2-基叠氮化物 苯并噻唑-2-基-邻甲苯-胺 苯并噻唑-2-基-己基-胺 苯并噻唑-2-基-(4-氯-苯基)-胺 苯并噻唑-2-基-(4-氟-苯基)-胺 苯并噻唑-2-基-(4-乙氧基-苯基)-胺 苯并噻唑-2-基-(2-甲氧基-苯基)-胺 苯并噻唑-2-基-(2,6-二甲基-苯基)-胺 苯并噻唑-2-基(对甲苯基)甲醇 苯并噻唑-2-乙酸甲酯 苯并噻唑-2-乙腈 苯并噻唑-2(3H)-酮N2-[1-(吡啶-4-基)乙亚基]腙 苯并噻唑-2 - 丙基 苯并噻唑,6-(3-乙基-2-三氮烯基)-2-甲基-(8CI)