7-苯胺基-4-甲基香豆素-3-乙酸 | 82412-16-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 中文名称: 7-苯胺基-4-甲基香豆素-3-乙酸
• 中文别名: 1,2,3-苯三醇,4,6-二氨基-
• 英文名称: 7-anilino-4-methylcoumarin-3-acetic acid
• 英文别名: 2-(7-anilino-4-methyl-2-oxochromen-3-yl)acetic acid
• CAS: 82412-16-6
• 化学式: C₁₈H₁₅NO₄
• 分子量: 309.321
• InChiKey: CQPFKBKIRKTCME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-苯胺基-4-甲基香豆素-3-乙酸 在 可的松 、 α-globulin 作用下， 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Interaction of the fluorescent probe 7-anilino-4-methylcoumarin-3-acetic acid with .ALPHA.-globulin.

  摘要：

  7-苯胺基-4-甲基香豆素-3-乙酸（AMCA）的荧光特性可用于蛋白质结合研究中的荧光探针，在各种溶剂和α-球蛋白溶液中进行了检测。在非极性溶剂和α-球蛋白存在的情况下，AMCA的荧光显著增强，发射峰向短波长移动。斯卡查德图和连续变化图表明，一个AMCA分子与α-球蛋白结合。AMCA被用作一些雌激素和皮质类固醇与α-球蛋白结合研究的探针。在类固醇存在的情况下，AMCA-α-球蛋白系统的光谱变化表明，雌激素（α-和β-雌二醇、雌三醇）竞争性置换与α-球蛋白结合的AMCA，但皮质类固醇（可的松、氢化可的松）不会。还估计了雌激素与α-球蛋白的结合参数。现有数据表明，AMCA可用作评估类固醇（包括雌激素）与α-球蛋白结合的荧光探针。

  DOI：

  10.1248/cpb.33.1522
• 作为产物：
  描述：

  ethyl-7-anilino-4-methylcoumarin-3-acetate 在 hydrolysis 作用下， 生成 7-苯胺基-4-甲基香豆素-3-乙酸
  参考文献：
  名称：

  New Fluorescence probes for drug-albumin intereaction studies.

  摘要：

  一些新的和已知的香豆酸类化合物被合成为荧光探针。这些化合物的荧光特性在各种溶剂和白蛋白溶液中进行了研究。7-氨基香豆酸-4-乙酸（I）在非极性溶剂和人血清白蛋白（HSA）存在下的荧光显著增强。根据I与HSA结合时的荧光增强和光谱变化估计了I的结合参数。Scatchard图和连续变化图表明，只有主要位点能够增强荧光并导致I的光谱变化。地高辛将I从HSA的主要位点中置换出来，但根据Sudlow分类，位点1和位点2的药物并未显著置换该探针。目前的数据表明，I可能作为第三位点标记物有一定的应用潜力。

  DOI：

  10.1248/cpb.30.1363

文献信息

• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• Compositions and methods for treatment of viral diseases
  申请人：Johansen Lisa M.

  公开号：US20080161324A1

  公开（公告）日：2008-07-03

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E). Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.
• [EN] COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT DE MALADIES VIRALES
  申请人：COMBINATORX SINGAPORE PRE LTD

  公开号：WO2008033466A2

  公开（公告）日：2008-03-20

  [EN] The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E). Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.
  [FR] La présente invention concerne des compositions, procédés et kits utiles dans le traitement de maladies virales. Dans certains modes de réalisation, la maladie virale est causée par un virus à ARN simple brin, un virus Flaviviridae, ou un virus hépatique. Dans des modes de réalisation particuliers, la maladie virale est l'hépatite virale (par exemple, hépatite A, hépatite B, hépatite C, hépatite D, hépatite E). La présente invention concerne également des procédés de criblage en vue de l'identification de nouveaux composés qui peuvent être utilisés pour traiter une maladie virale.
• New Fluorescence probes for drug-albumin intereaction studies.
  作者：SHUJIRO GOYA、AKIRA TAKADATE、HIROYUKI FUJINO、MASAKI OTAGIRI、KANETO UEKAMA

  DOI：10.1248/cpb.30.1363

  日期：——

  Some new and known coumarincarboxylic acids were synthesized for use as fluorescence probes. The fluorescence properties of these compounds were examined in various solvents and albumin solutions. The fluorescence of 7-anilinocoumarin-4-acetic acid (I) was significantly enhanced in nonpolar solvents and in the presence of human serum albumin (HSA). The binding parameters of I were estimated from the fluorescence enhancement and spectral change of I bound to HSA. The Scatchard plots and the continuous variation plots indicated that only the primary site was capable of enhancing the fluorescence and causing the spectral changes of I. Digitoxin displaced I from its primary site on HSA, but site 1 and site 2 drugs on the basis of Sudlow's classification did not significantly displace the probe. The present data indicate that I may be useful as a third site marker.

  一些新的和已知的香豆酸类化合物被合成为荧光探针。这些化合物的荧光特性在各种溶剂和白蛋白溶液中进行了研究。7-氨基香豆酸-4-乙酸（I）在非极性溶剂和人血清白蛋白（HSA）存在下的荧光显著增强。根据I与HSA结合时的荧光增强和光谱变化估计了I的结合参数。Scatchard图和连续变化图表明，只有主要位点能够增强荧光并导致I的光谱变化。地高辛将I从HSA的主要位点中置换出来，但根据Sudlow分类，位点1和位点2的药物并未显著置换该探针。目前的数据表明，I可能作为第三位点标记物有一定的应用潜力。
• Interaction of the fluorescent probe 7-anilino-4-methylcoumarin-3-acetic acid with .ALPHA.-globulin.
  作者：AKIRA TAKADATE、YOSHIKO OHKUBO、MITSURU IRIKURA、SHUJIRO GOYA、MASAKI OTAGIRI、KANETO UEKAMA

  DOI：10.1248/cpb.33.1522

  日期：——

  The fluorescence characteristics of 7-anilino-4-methylcoumarin-3-acetic acid (AMCA), which may be useful as a fluorescent probe in protein binding investigations, were examined in various solvents and α-globulin solution. The fluorescence of AMCA was significantly enhanced in lesspolar solvents and in the presence of α-globulin with a shift of the emission maximum to shorter wavelength. Scatchard plots and continuous variation plots indicated that one molecule of AMCA binds to α-globulin. AMCA was applied as a probe in binding studies of some estrogens and corticoids with α-globulin. The spectral changes of the AMCA-α-globulin system in the presence of steroids indicated that estrogens (α- and β-estradiol, estriol) competitively displace AMCA bound to α-globulin but corticoids (cortisone, hydrocortisone) do not. The binding parameters of estrogens for α-globulin were also estimated. The present data suggest that AMCA is useful as a fluorescent probe for assessing the binding of steroids, including estrogens, to α-globulin.

  7-苯胺基-4-甲基香豆素-3-乙酸（AMCA）的荧光特性可用于蛋白质结合研究中的荧光探针，在各种溶剂和α-球蛋白溶液中进行了检测。在非极性溶剂和α-球蛋白存在的情况下，AMCA的荧光显著增强，发射峰向短波长移动。斯卡查德图和连续变化图表明，一个AMCA分子与α-球蛋白结合。AMCA被用作一些雌激素和皮质类固醇与α-球蛋白结合研究的探针。在类固醇存在的情况下，AMCA-α-球蛋白系统的光谱变化表明，雌激素（α-和β-雌二醇、雌三醇）竞争性置换与α-球蛋白结合的AMCA，但皮质类固醇（可的松、氢化可的松）不会。还估计了雌激素与α-球蛋白的结合参数。现有数据表明，AMCA可用作评估类固醇（包括雌激素）与α-球蛋白结合的荧光探针。