3-(1-Phenylpropyl)-1-isoquinolinone | 474779-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-(1-Phenylpropyl)-1-isoquinolinone
• 英文别名: 3-(1-phenylpropyl)-2H-isoquinolin-1-one
• CAS: 474779-46-9
• 化学式: C₁₈H₁₇NO
• 分子量: 263.339
• InChiKey: KAKBQVJJXHOHKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• Isoquinolinone derivatives
  申请人：KuDOS Pharmaceuticals Limited

  公开号：US20030008896A1

  公开（公告）日：2003-01-09

  Derivatives of isoquinolinone and dihydrolisoquinolinone, and related compounds, and their use as pharmaceuticals in the treatment of a disease by inhibition of the enzyme poly(ADP-ribose)polymerase (“PARP”) are disclosed.

  本发明公开了异喹啉酮和二氢异喹啉酮及其衍生物的衍生物，以及它们在通过抑制酶聚(ADP-核糖)聚合酶（“PARP”）治疗疾病中作为药物的应用。
• ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS
  申请人：Kudos Pharmaceuticals Limited

  公开号：EP1397350A1

  公开（公告）日：2004-03-17
• US6664269B2
  申请人：——

  公开号：US6664269B2

  公开（公告）日：2003-12-16
• [EN] ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS<br/>[FR] DERIVES D'ISOQUINOLINONE COMME INHIBITEURS DE PARP
  申请人：KUDOS PHARM LTD

  公开号：WO2002090334A1

  公开（公告）日：2002-11-14

  The use of a compound of the formula (I) and isomers, salts, solvates, chemically protected forms, and prodrugs thereof, in the preparation of a medicament for inhibiting the activity of PARP, wherein A and B together represent an optionally substituted, fused aromatic ring, the dotted line between the 3 and 4 positions indicates the optional presence of a double bond, at least one of RC1 and RC2 is independently represented by -L-RL, and if one of RC1 and RC2 is not represented by -L-RL, then that group is H, where L is of formula: -(CH2)¿n1¿-Q¿n2?-(CH2)n3-wherein n1, n2 and n3 are each selected from 0, 1, 2 and 3, the sum of n1, n2 and n3 is 1, 2 or 3 and each Q (if n2 is greater than 1) is selected from O, S, NR3, C(=O), or -CR1R2-, where R1 and R2 are independently selected from hydrogen, halogen or optionally substituted C1-7 alkyl, or may together with the carbon atom to which they are attached form a C3-7 cyclic alkyl group, which may be saturated (a C3-7 cycloalkyl group) or unsaturated (a C3-7 cycloalkenyl group), or one of R1 and R2 may be attached to an atom in RL to form an unsaturated C3-7 cycloalkenyl group which comprises the carbon atoms to which R1 and R2 are attached in Q, -(CH2)n3- (if present) and part of RL, and where R3 is selected from H or C1-7 alkyl, and RL is selected from optionally substituted C3-20 heterocyclyl, C5-20 aryl and carbonyl, and RN is selected from hydrogen, optionally substituted C1-7 alkyl, C3-20 heterocyclyl, C5-20 aryl, hydroxy, ether, nitro, amino, thioether, sulfoxide and sulfone.