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1-[5-Methyl-1-(2-methyl-2-sulfanylpropyl)pyrrol-2-yl]-4-(methylsulfonyl) benzene

中文名称
——
中文别名
——
英文名称
1-[5-Methyl-1-(2-methyl-2-sulfanylpropyl)pyrrol-2-yl]-4-(methylsulfonyl) benzene
英文别名
1-[5-Methyl-1-(2-methyl-2-sulfanylpropyl)pyrrol-2-yl]-4-(methylsulfonyl)-benzene;2-Methyl-1-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]propane-2-thiol
1-[5-Methyl-1-(2-methyl-2-sulfanylpropyl)pyrrol-2-yl]-4-(methylsulfonyl) benzene化学式
CAS
——
化学式
C16H21NO2S2
mdl
——
分子量
323.48
InChiKey
AFFARTYCDZPMRS-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):
    2.8
  • 重原子数:
    21
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.38
  • 拓扑面积:
    48.4
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use
    摘要:
    本发明描述了新颖的硝化和/或亚硝化环氧合酶2(COX-2)抑制剂以及包含至少一种硝化和/或亚硝化环氧合酶2(COX-2)抑制剂的新型组合物,以及可选地,至少一种捐赠、转移或释放一氧化氮、刺激内源性一氧化氮合成、提高内源性内皮源性舒张因子水平或是一氧化氮合酶底物的化合物,和/或可选地,至少一种治疗剂,如类固醇、非甾体抗炎化合物(NSAID)、5-脂氧合酶(5-LO)抑制剂、白三烯B4(LTB4)受体拮抗剂、白三烯A4(LTA4)水解酶抑制剂、5-HT激动剂、3-羟基-3-甲基戊二酰辅酶A(HMGCoA)抑制剂、H受体拮抗剂、抗肿瘤药物、抗血小板药物、解充血剂、利尿剂、镇静或非镇静抗组胺药、诱导型一氧化氮合酶抑制剂、阿片类药物、镇痛剂、幽门螺杆菌抑制剂、质子泵抑制剂、异前列腺素抑制剂以及其混合物。本发明还提供了包含至少一种母体COX-2抑制剂和至少一种一氧化氮供体的新型组合物,以及可选地,至少一种治疗剂。本发明还提供了用于治疗炎症、疼痛和发热的工具和方法;用于治疗和/或改善COX-2抑制剂的胃肠道特性;用于促进伤口愈合;用于治疗和/或预防肾毒性;以及用于治疗和/或预防由于环氧合酶-2水平升高而导致的其他疾病的工具和方法。
    公开号:
    US20010041726A1
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文献信息

  • NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE
    申请人:BANDARAGE Ramani R.
    公开号:US20090099139A1
    公开(公告)日:2009-04-16
    The present invention describes novel nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitors and novel compositions comprising at least one nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitor, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or optionally, at least one therapeutic agent. The present invention also provides novel compositions comprising at least one parent COX-2 inhibitor and at least one nitric oxide donor, and, optionally, at least one therapeutic agent. The present invention also provides kits and methods for treating inflammation, pain and fever; for treating and/or improving the gastrointestinal properties of COX-2 inhibitors; for facilitating wound healing; for treating and/or preventing renal toxicity; and for treating and/or preventing other disorders resulting from elevated levels of cyclooxygenase-2.
    本发明描述了新型的亚硝酸化和/或亚硝基化环氧合酶2(COX-2)抑制剂,以及包含至少一种亚硝酸化和/或亚硝基化环氧合酶2(COX-2)抑制剂的新型组合物,可选择地包含至少一种捐赠、转移或释放一氧化氮、刺激内源性合成一氧化氮、提高内源性内皮衍生松弛因子水平或是一氧化氮合酶底物的化合物,以及/或可选择地包含至少一种治疗剂。本发明还提供了包含至少一种母体COX-2抑制剂和至少一种一氧化氮供体的新型组合物,可选择地包含至少一种治疗剂。本发明还提供了用于治疗炎症、疼痛和发热的套件和方法;用于治疗和/或改善COX-2抑制剂的胃肠道特性;用于促进伤口愈合;用于治疗和/或预防肾毒性;以及用于治疗和/或预防由于升高的环氧合酶-2水平而引起的其他疾病的方法。
  • US6649629B2
    申请人:——
    公开号:US6649629B2
    公开(公告)日:2003-11-18
  • US7166618B2
    申请人:——
    公开号:US7166618B2
    公开(公告)日:2007-01-23
  • US7432285B2
    申请人:——
    公开号:US7432285B2
    公开(公告)日:2008-10-07
  • Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use
    申请人:——
    公开号:US20010041726A1
    公开(公告)日:2001-11-15
    The present invention describes novel nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitors and novel compositions comprising at least one nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) inhibitor, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or optionally, at least one therapeutic agent, such as, steroids, nonsteroidal antiinflammatory compounds (NSAID), 5-lipoxygenase (5-LO) inhibitors, leukotriene B 4 (LTB 4 ) receptor antagonists, leukotriene A 4 (LTA 4 ) hydrolase inhibitors, 5-HT agonists, 3-hydroxy-3-methylglutaryl coenzyme A (HMGCoA) inhibitors, H antagonists, antineoplastic agents, antiplatelet agents, decongestants, diuretics, sedating or non-sedating anti-histamines, inducible nitric oxide synthase inhibitors, opioids, analgesics, Helicobacter pylori inhibitors, proton pump inhibitors, isoprostane inhibitors, and mixtures thereof. The present invention also provides novel compositions comprising at least one parent COX-2 inhibitor and at least one nitric oxide donor, and, optionally, at least one therapeutic agent. The present invention also provides kits and methods for treating inflammation, pain and fever; for treating and/or improving the gastrointestinal properties of COX-2 inhibitors; for facilitating wound healing; for treating and/or preventing renal toxicity; and for treating and/or preventing other disorders resulting from elevated levels of cyclooxygenase-2.
    本发明描述了新颖的硝化和/或亚硝化环氧合酶2(COX-2)抑制剂以及包含至少一种硝化和/或亚硝化环氧合酶2(COX-2)抑制剂的新型组合物,以及可选地,至少一种捐赠、转移或释放一氧化氮、刺激内源性一氧化氮合成、提高内源性内皮源性舒张因子水平或是一氧化氮合酶底物的化合物,和/或可选地,至少一种治疗剂,如类固醇、非甾体抗炎化合物(NSAID)、5-脂氧合酶(5-LO)抑制剂、白三烯B4(LTB4)受体拮抗剂、白三烯A4(LTA4)水解酶抑制剂、5-HT激动剂、3-羟基-3-甲基戊二酰辅酶A(HMGCoA)抑制剂、H受体拮抗剂、抗肿瘤药物、抗血小板药物、解充血剂、利尿剂、镇静或非镇静抗组胺药、诱导型一氧化氮合酶抑制剂、阿片类药物、镇痛剂、幽门螺杆菌抑制剂、质子泵抑制剂、异前列腺素抑制剂以及其混合物。本发明还提供了包含至少一种母体COX-2抑制剂和至少一种一氧化氮供体的新型组合物,以及可选地,至少一种治疗剂。本发明还提供了用于治疗炎症、疼痛和发热的工具和方法;用于治疗和/或改善COX-2抑制剂的胃肠道特性;用于促进伤口愈合;用于治疗和/或预防肾毒性;以及用于治疗和/或预防由于环氧合酶-2水平升高而导致的其他疾病的工具和方法。
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