N-benzenesulfonyl-N'-isopentyl-urea | 100317-39-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-benzenesulfonyl-N'-isopentyl-urea
• 英文别名: N-Benzolsulfonyl-N'-isopentyl-harnstoff；1-(Benzenesulfonyl)-3-(3-methylbutyl)urea
• CAS: 100317-39-3
• 化学式: C₁₂H₁₈N₂O₃S
• 分子量: 270.353
• InChiKey: HYFNUPQYRWLTNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯磺酰胺 生成 N-benzenesulfonyl-N'-isopentyl-urea
  参考文献：
  名称：

  Notes - Some N-Arylculfonyl-N '-alkylureas

  摘要：

  DOI：

  10.1021/jo01100a622

文献信息

• Modulation of cellular DNA repair activity to intercept malignancy
  申请人：THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

  公开号：US10188617B2

  公开（公告）日：2019-01-29

  Disclosed herein are methods for identifying compounds that enhance base excision repair, as well as compounds identified thereby and methods of using such compounds in the interception of malignancy, i.e. the prevention of progression of a disease from a state of susceptibility to active disease. Exemplified compounds are acetohexamide and related compounds, as well as benserazide and analogs thereof. Exemplified malignancies are those of human breast cells carrying mutations, in particular, SUM149 cells and HCC1937 cells, which cells carry BRCA1 mutations.

  本文公开了用于鉴定可增强碱基切除修复的化合物的方法，以及由此鉴定出的化合物和将此类化合物用于阻断恶性肿瘤的方法，即防止疾病从易感状态发展为活动性疾病的方法。示例化合物是乙酰己酰胺和相关化合物，以及苄丝肼及其类似物。示例性恶性肿瘤是携带突变的人类乳腺细胞，特别是携带 BRCA1 突变的 SUM149 细胞和 HCC1937 细胞。
• Fluorinated bile acid derivatives
  申请人：NZP UK LIMITED

  公开号：US11517577B2

  公开（公告）日：2022-12-06

  The invention relates to compounds of general formula (I): wherein R 2a , R 2b , R 3a , R 3b , R 5 , Y and R 7 are as defined herein are selective agonists at the FXR receptor and are useful for the treatment or prevention of diseases and conditions including nonalcoholic steatohepatitis (NASH); primary biliary cirrhosis; primary sclerosing cholangitis; biliary atresia; cholestatic liver disease; hepatitis C infection; alcoholic liver disease; fibrosis; and liver damage arising from fibrosis.

  本发明涉及通式 (I) 的化合物： 其中 R 2a , R 2b , R 3a , R 3b , R 5 、Y 和 R 7 是 FXR 受体的选择性激动剂，可用于治疗或预防疾病和病症，包括非酒精性脂肪性肝炎 (NASH)、原发性胆汁性肝硬化、原发性硬化性胆管炎、胆道闭锁、胆汁淤积性肝病、丙型肝炎感染、酒精性肝病、肝纤维化和肝纤维化引起的肝损伤。
• MODULATON OF CELLULAR DNA REPAIR ACTIVITY TO INTERCEPT MALIGNANCY
  申请人：THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

  公开号：US20160038444A1

  公开（公告）日：2016-02-11

  Disclosed herein are methods for identifying compounds that enhance base excision repair, as well as compounds identified thereby and methods of using such compounds in the interception of malignancy, i.e. the prevention of progression of a disease from a state of susceptibility to active disease. Exemplified compounds are acetohexamide and related compounds, as well as benserazide and analogs thereof. Exemplified malignancies are those of human breast cells carrying mutations, in particular, SUM149 cells and HCC1937 cells, which cells carry BRCA1 mutations.
• FLUORINATED BILE ACID DERIVATIVES
  申请人：NZP UK LIMITED

  公开号：US20210299148A1

  公开（公告）日：2021-09-30

  The invention relates to compounds of general formula (I): wherein R 2a , R 2b , R 3a , R 3b , R 5 , Y and R 7 are as defined herein are selective agonists at the FXR receptor and are useful for the treatment or prevention of diseases and conditions including nonalcoholic steatohepatitis (NASH); primary biliary cirrhosis; primary sclerosing cholangitis; biliary atresia; cholestatic liver disease; hepatitis C infection; alcoholic liver disease; fibrosis; and liver damage arising from fibrosis.
• [EN] MODULATION OF CELLULAR DNA REPAIR ACTIVITY TO INTERCEPT MALIGNANCY<br/>[FR] MODULATION DE L'ACTIVITÉ DE RÉPARATION DE L'ADN CELLULAIRE À DES FINS « D'INTERCEPTION » DES AFFECTIONS MALIGNES
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2014164730A2

  公开（公告）日：2014-10-09

  Disclosed herein are methods for identifying compounds that enhance base excision repair, as well as compounds identified thereby and methods of using such compounds in the interception of malignancy, i.e. the prevention of progression of a disease from a state of susceptibility to active disease. Exemplified compounds are acetohexamide and related compounds, as well as benserazide and analogs thereof. Exemplified malignancies are those of human breast cells carrying mutations, in particular, SUM149 cells and HCC1937 cells, which cells carry BRCA1 mutations.