5,9,12,15-Tetrahydroxy-17-{hydroxy[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]methyl}-11-[(1H-indol-3-yl)methyl]-2-methyl-14-[2-(methylsulfanyl)ethyl]-4-oxa-6,10,13,16-tetraazanonadeca-5,9,12,15-tetraen-19-oic acid | 15686-70-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 5,9,12,15-Tetrahydroxy-17-{hydroxy[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]methyl}-11-[(1H-indol-3-yl)methyl]-2-methyl-14-[2-(methylsulfanyl)ethyl]-4-oxa-6,10,13,16-tetraazanonadeca-5,9,12,15-tetraen-19-oic acid
• 英文别名: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
• CAS: 15686-70-1
• 化学式: C₃₇H₄₉N₇O₉S
• 分子量: 767.9
• InChiKey: ALXRNCVIQSDJAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  54
• 可旋转键数：
  23
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  276
• 氢给体数：
  8
• 氢受体数：
  10

文献信息

• US7790905B2
  申请人：——

  公开号：US7790905B2

  公开（公告）日：2010-09-07
• US7927613B2
  申请人：——

  公开号：US7927613B2

  公开（公告）日：2011-04-19
• [EN] BIOMARKERS FOR STROKE PROGNOSIS<br/>[FR] BIOMARQUEURS POUR LE PRONOSTIC DE L'ACCIDENT VASCULAIRE CÉRÉBRAL
  申请人：FUNDACIO HOSPITAL UNIV VALL DHEBRON INSTITUT DE RECERCA

  公开号：WO2021009287A1

  公开（公告）日：2021-01-21

  The application refers to an in vitro method for determining the prognosis in a patient suffering from stroke, the method comprising the step of determining the level of Alpha-1 antitrypsin (A1AT) in an isolated test sample obtained from the patient and deciding or recommending an appropriate medical regime accordingly. The application also provides for methods to identify stroke patients having a bad prognosis associated to high susceptibility to post-stroke infections.