2-[(2Z)-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazol-3-yl]hexanoic acid

• 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: 2-[(2Z)-2-[(E)-3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazol-3-yl]hexanoic acid
• 化学式: C27H31N2O4+
• 分子量: 447.5
• InChiKey: IVUHIKGQHWRYSX-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• DUAL QUENCHER PROBES
  申请人：Biosearch Technologies, Inc.

  公开号：EP3283499B1

  公开（公告）日：2022-07-06
• METHODS AND SYSTEMS FOR SELECTION AND TREATMENT OF PATIENTS WITH INFLAMMATORY DISEASES
  申请人：CEDARS-SINAI MEDICAL CENTER

  公开号：US20210238684A1

  公开（公告）日：2021-08-05

  Described herein are methods and systems for identifying subjects suitable for treatment with an inhibitor of CD30L activity or expression, such as an anti-CD30L antibody. Methods and systems disclosed herein identify subjects suitable for treatment based on a presence of a genotype that is indicative of a disease or condition in the subject for which an inhibitor of CD30L is a suitable treatment. Exemplary conditions include both Crohns disease and primary sclerosing cholangitis. Compositions used to detect the genotypes described herein, and methods of using them are also provided.