3-(4-methoxybenzyl)isocoumarin | 474779-58-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: 3-(4-methoxybenzyl)isocoumarin
• 英文别名: 3-[(4-methoxyphenyl)methyl]isochromen-1-one
• CAS: 474779-58-3
• 化学式: C₁₇H₁₄O₃
• 分子量: 266.296
• InChiKey: OQWZUYLJYIEWPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-methoxybenzyl)isocoumarin 以 methanolic ammonia 为溶剂， 以12%的产率得到3-(4-methoxybenzyl)-1-isoquinolinone
  参考文献：
  名称：

  Isoquinolinone derivatives

  摘要：

  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。

  公开号：

  US20030008896A1
• 作为产物：
  描述：

  邻羧基苯乙酸 、 4-甲氧基苯乙酰氯 在 氮气 、 甲醇 、 Silica 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以to give 3-(4-methoxybenzyl)isocoumarin (0.9 g, 26%) as an oil的产率得到3-(4-methoxybenzyl)isocoumarin
  参考文献：
  名称：

  Isoquinolinone derivatives

  摘要：

  本发明揭示了异喹啉酮和二氢异喹啉酮的衍生物以及相关化合物，并将其用作药物，通过抑制酶聚(ADP核糖)聚合酶（“PARP”）治疗疾病。

  公开号：

  US20030008896A1

文献信息

• 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.
• 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。