7-(N^α-benzyloxycarbonyl-glycylglycyl-L-leucyl)amino-4-methylcoumarin | 97792-39-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 7-(N^α-benzyloxycarbonyl-glycylglycyl-L-leucyl)amino-4-methylcoumarin
• 英文别名: Z-Gly-gly-leu-amc；benzyl N-[2-[[2-[[(2S)-4-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
• CAS: 97792-39-7
• 化学式: C₂₈H₃₂N₄O₇
• 分子量: 536.585
• InChiKey: WWRUTMQQQWGCPG-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  152
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-(N^α-benzyloxycarbonyl-glycylglycyl-L-leucyl)amino-4-methylcoumarin 生成 7-氨基-4-甲基香豆素 、 N-苄氧羰基甘氨酰甘氨酰-L-亮氨酸
  参考文献：
  名称：

  New fluorogenic substrates for subtilisin.

  摘要：

  合成了两种三肽的7-氨基-4-甲基香豆素酰胺衍生物。它们被证明是潜在有用的底物，可用于枯草杆菌蛋白酶 BPN' 和 Carlsberg 的荧光微量测定。研究了酶水解这些底物的动力学特征。

  DOI：

  10.1248/cpb.33.1721
• 作为产物：
  描述：

  N-苄氧羰基-甘氨酰-甘氨酸 、 L-亮氨酰7-氨基-4-甲基香豆素盐酸盐 在 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以84%的产率得到7-(N^α-benzyloxycarbonyl-glycylglycyl-L-leucyl)amino-4-methylcoumarin
  参考文献：
  名称：

  New fluorogenic substrates for subtilisin.

  摘要：

  合成了两种三肽的7-氨基-4-甲基香豆素酰胺衍生物。它们被证明是潜在有用的底物，可用于枯草杆菌蛋白酶 BPN' 和 Carlsberg 的荧光微量测定。研究了酶水解这些底物的动力学特征。

  DOI：

  10.1248/cpb.33.1721

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.
• SMALL MOLECULE ACTIVATORS OF HslV PROTEASE FOR DEVELOPMENT OF NOVEL ANTIMICROBIALS
  申请人：AZIM M. KAMRAN

  公开号：US20140371248A1

  公开（公告）日：2014-12-18

  HslVU is the proteasome-related system composed of HslV peptidase and HslU chaperone. It is involved in intracellular proteolysis. The presence of HslVU homologs in pathogenic microbes and its absence in human makes it an antimicrobial drug target. The functional HslVU complex forms when HslV dodecamer is flanked at both ends by HslU hexamers. In the HslVU complex, intercalation of C-termini residues of HslU subunits into the clefts between adjacent HslV subunits results in allosteric activation of HslV. We identified small molecules capable of activating HslV peptidase in the absence of its natural activator HslU. Quinazoline and chromone derivatives were suggested by ligand docking to bind at the HslU C-termini intercalation pockets in the HslV. This was confirmed by HslV activation assays with these compounds that gave ED 50 in sub-micromolar range. The results showed that small, extracellular non-peptidic molecules can activate the HslV peptidase which in turn would initiate intracellular proteolysis.
• US9119857B2
  申请人：——

  公开号：US9119857B2

  公开（公告）日：2015-09-01
• [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.