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5-溴吡咯-3-甲醛 | 881676-32-0

中文名称
5-溴吡咯-3-甲醛
中文别名
——
英文名称
5-bromo-1H-pyrrole-3-carbaldehyde
英文别名
5-bromopyrrole-3-carbaldehyde
5-溴吡咯-3-甲醛化学式
CAS
881676-32-0
化学式
C5H4BrNO
mdl
——
分子量
173.997
InChiKey
XTLHTMDWLYWDEO-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

物化性质

  • 沸点:
    299.6±20.0 °C(Predicted)
  • 密度:
    1.819±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.2
  • 重原子数:
    8
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    32.9
  • 氢给体数:
    1
  • 氢受体数:
    1

安全信息

  • 海关编码:
    2933990090
  • 危险性防范说明:
    P280,P305+P351+P338
  • 危险性描述:
    H302
  • 储存条件:
    2-8°C

SDS

SDS:6420a6b5df2fcb524dd5008b33b5340d
查看

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • [EN] NOVEL ZWITTERIONIC FLUORESCENT DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES<br/>[FR] NOUVEAUX COLORANTS ZWITTERIONIQUES FLUORESCENTS POUR LE MARQUAGE EN PROTEOMIQUE ET AUTRES ANALYSES BIOLOGIQUES
    申请人:UNIV MONTANA STATE
    公开号:WO2004009598A1
    公开(公告)日:2004-01-29
    The invention relates to compositions and methods useful in the labeling and identification of proteins. The invention provides for highly soluble zwitterionic dye molecules where the dyes and associated side groups are non-titratable and maintain their net zwitterionic character over a broad pH range, e.g. between pH 3 and 12. These dye molecules find utility in a variety of applications, including use in the field of proteomics.
    本发明涉及用于蛋白质标记和鉴定的有用的组合物和方法。本发明提供了一种高度可溶的两性离子染料分子,其中染料和相关侧链不具可滴定性,在广泛的pH范围内保持其净两性离子特性,例如在pH 3到12之间。这些染料分子在多种应用中具有实用价值,包括在蛋白质组学领域的使用。
  • [EN] PROTON PUMP INHIBITORS<br/>[FR] INHIBITEURS DE POMPE A PROTONS
    申请人:TAKEDA PHARMACEUTICAL
    公开号:WO2006036024A1
    公开(公告)日:2006-04-06
    Proton pump inhibitors which have excellent proton pumping activity and which can be converted in vivo into proton pump inhibitors to exhibit antiulcer effect and so on, containing compounds represented by the general formula (I) or salts thereof or prodrugs of the same: (I) wherein X and Y are each independently a free valency or a spacer whose main chain has 1 to 20 carbon atoms; R1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group; R2, R3 and R4 are each independently hydrogen, an optionally substituted hydrocarbon group, optionally substituted thienyl, optionally substituted benzo[b]thienyl, optionally substituted furyl, optionally substituted pyridyl, optionally substituted pyrazolyl, optionally substituted pyrimidinyl, acyl, halogeno, cyano, or nitro; and R5 and R6 are each independently hydrogen or an optionally substituted hydrocarbon group.
    质子泵抑制剂具有优异的质子泵活性,可以在体内转化为质子泵抑制剂,表现出抗溃疡作用等,包含由通式(I)表示的化合物或其盐或类似物:(I)其中X和Y分别是自由价或其主链具有1至20个碳原子的间隔物;R1是可选择地取代的碳氢基团或可选择地取代的杂环基团;R2、R3和R4分别是氢、可选择地取代的碳氢基团、可选择地取代的噻吩基、可选择地取代的苯并[b]噻吩基、可选择地取代的呋喃基、可选择地取代的吡啶基、可选择地取代的吡唑基、可选择地取代的嘧啶基、酰基、卤素、基或硝基;R5和R6分别是氢或可选择地取代的碳氢基团。
  • MCL-1 INHIBITORS
    申请人:Gilead Sciences, Inc.
    公开号:US20190352271A1
    公开(公告)日:2019-11-21
    The present disclosure generally relates to compounds and pharmaceutical compositions that may be used in methods of treating cancer.
    本公开涉及通常用于治疗癌症的化合物和药物组合物。
  • Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action
    作者:Haruyuki Nishida、Yasuyoshi Arikawa、Keizo Hirase、Toshihiro Imaeda、Nobuhiro Inatomi、Yasunobu Hori、Jun Matsukawa、Yasushi Fujioka、Teruki Hamada、Motoo Iida、Mitsuyoshi Nishitani、Akio Imanishi、Hideo Fukui、Fumio Itoh、Masahiro Kajino
    DOI:10.1016/j.bmc.2017.04.014
    日期:2017.7
    compounds synthesized, fluoropyrrole derivative 37c, which has a 2-F-3-Py group at the fifth position, lower pKa, and much lower ClogP and logD values than 1b dose, showed potent gastric-acid suppressive action resulting from gastric H+,K+-ATPase inhibition in animal models. Its maximum intragastric pH elevation effect was strong in rats, and its duration of action was much longer than that of either
    为了找到一种新型的,持久的竞争性酸阻滞剂(P-CAB),可以完全克服质子泵抑制剂(PPI)的局限性,我们尝试了以吡咯生物1b为先导化合物的各种方法。作为鉴定新药的综合方法的一部分,我们通过在吡咯环的5位引入极性杂芳族基团,探索了具有低亲脂性的出色化合物。在合成的化合物中,吡咯生物37c在第五位具有2-F-3-Py基团,其pKa较低,并且ClogP和logD值比1b剂量低,它们显示出有效的胃酸抑制作用,这是由于胃H + ,K + -ATPase在动物模型中的抑制。在大鼠中,其最大胃内pH升高作用很强,而且它的作用持续时间比兰索拉唑化合物1b对狗的作用时间长得多。因此,化合物37c可以被认为是具有长效作用的有前途的新P-CAB
  • Acid secretion inhibitor
    申请人:Kajino Masahiro
    公开号:US20070060623A1
    公开(公告)日:2007-03-15
    The present invention provides a compound having a superior acid secretion inhibitory effect and showing an antiulcer activity and the like. The present invention provides a compound represented by the formula (I) wherein R 1 is a nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle, the nitrogen-containing monocyclic heterocyclic group optionally condensed with a benzene ring or a heterocycle optionally has substituent(s), R 2 is an optionally substituted C 6-14 aryl group, an optionally substituted thienyl group or an optionally substituted pyridyl group, R 3 and R 4 are each a hydrogen atom, or one of R 3 and R 4 is a hydrogen atom and the other is an optionally substituted lower alkyl group, an acyl group, a halogen atom, a cyano group or a nitro group, and R 5 is an alkyl group or a salt thereof.
    本发明提供一种具有优越的抑制酸分泌作用并显示抗溃疡活性等的化合物。本发明提供一种由式(I)表示的化合物,其中R1是一种含氮的单环杂环基,可选择地与苯环或杂环缩合,该含氮的单环杂环基可选择地与苯环或杂环缩合,可选择地具有取代基,R2是可选择地取代的C6-14芳基,可选择地取代的噻吩基或可选择地取代的吡啶基,R3和R4分别是氢原子,或者R3和R4中的一个是氢原子,另一个是可选择地取代的较低烷基基团、酰基、卤原子、基或硝基,R5是烷基或其盐。
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