6-amino-5-(6-benzyloxy-2,2,5,7-tetramethyl-3-oxaindan-4-yl)aminocarbonyl-3-methyl-1-(1-naphthyl)uracil | 676148-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-amino-5-(6-benzyloxy-2,2,5,7-tetramethyl-3-oxaindan-4-yl)aminocarbonyl-3-methyl-1-(1-naphthyl)uracil
• 英文别名: 4-amino-1-methyl-3-naphthalen-1-yl-2,6-dioxo-N-(2,2,4,6-tetramethyl-5-phenylmethoxy-3H-1-benzofuran-7-yl)pyrimidine-5-carboxamide
• CAS: 676148-95-1
• 化学式: C₃₅H₃₄N₄O₅
• 分子量: 590.679
• InChiKey: CBVWATALGLABAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  、 6-amino-3-methyl-1-(1-naphthyl)uracil 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 、 甲苯 为溶剂， 反应 10.0h， 以15%的产率得到6-amino-5-(6-benzyloxy-2,2,5,7-tetramethyl-3-oxaindan-4-yl)aminocarbonyl-3-methyl-1-(1-naphthyl)uracil
  参考文献：
  名称：

  EP1541562

  摘要：

  公开号：

文献信息

• Novel uracil derivatives and medicinal use thereof
  申请人：Isobe Yoshiaki

  公开号：US20060094737A1

  公开（公告）日：2006-05-04

  It is intended to provide an uracil derivative represented by the following general formula (I): (I) wherein X represents a group selected from among NHCO, NHCH 2 , CO, CONH and CH 2 NH; R 1 represents hydrogen or optionally substituted C 1-6 alkyl; R 2 represents a group of the following general formula (II) or (III): (II) (III) (wherein m is 0 or 1; n is an integer of from 1 to 3; Y represents OH or NH 2 ; and a dotted line shows a binding position), provided that when R 2 is a group of the general formula (III), X represents NHCO or NHCH 2 ; R 3 and R 4 independently represent each hydrogen or C 1-6 alkyl; and Ar represents phenyl substituted by C 1-6 alkyl at the o- and m-positions, optionally substituted heteroaryl or a bicyclic aromatic group; its pharmaceutically acceptable salt, and a remedy containing the above uracil derivative or its pharmaceutically acceptable salt as the active ingredient for, in particular, allergic diseases relating to a type IV allergic reaction, i.e., a novel compound useful in treating diseases in which a type IV allergic reaction participates and a remedy for allergic diseases containing the same as the active ingredient.

  本发明旨在提供一种尿嘧啶衍生物，其通式如下（I）：（I）其中X代表从NHCO、NHCH2、CO、CONH和CH2NH中选择的基团；R1代表氢或可选取代的C1-6烷基；R2代表下列通式（II）或（III）的基团：（II）（III）（其中m为0或1；n为1至3的整数；Y代表OH或NH2；虚线表示结合位置），但当R2为通式（III）的基团时，X代表NHCO或NHCH2；R3和R4独立地代表氢或C1-6烷基；Ar代表在o-和m-位取代C1-6烷基的苯基、可选取代的杂环芳基或双环芳基；其药学上可接受的盐，以及含有上述尿嘧啶衍生物或其药学上可接受的盐作为活性成分的治疗剂，特别是用于与IV型过敏反应相关的过敏性疾病的一种新型化合物，以及含有该化合物作为活性成分的过敏性疾病治疗剂。
• NOVEL URACIL DERIVATIVES AND MEDICINAL USE THEREOF
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1541562A1

  公开（公告）日：2005-06-15

  There are provided a uracil derivative represented by the general formula (I): wherein X represents a group selected from NHCO, NHCH2, CO, CONH and CH2NH; R1 represents a hydrogen atom or a substituted or unsubstituted alkyl group of 1 to 6 carbon atoms; R2 represents the general formula (II) or (III) : wherein m is 0 or 1, n is an integer of 1 to 3, Y is OH or NH2, and each dotted line indicates a bonding position, provided that when R2 represents the general formula (III), X represents NHCO or NHCH2; R3 and R4 independently represent a hydrogen atom or an alkyl group of 1 to 6 carbon atoms; and Ar represents a phenyl group substituted by alkyl groups of 1 to 6 carbon atoms at the o- and m-positions, a substituted or unsubstituted heteroaryl group or a bicyclic aromatic group, or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition for the treatment of, in particular, allergic diseases in which a type IV allergic reaction participates, which comprises the above-mentioned uracil derivative or pharmaceutically acceptable salt thereof as an active ingredient, that is, there are provided a novel compound useful for treating various allergic diseases, in particular, diseases in which a type IV allergic reaction participates, and a pharmaceutical composition for the treatment of allergic diseases comprising this compound as an active ingredient.

  提供了通式(I)代表的尿嘧啶衍生物： 其中 X 代表选自 NHCO、NHCH2、CO、CONH 和 CH2NH 的基团；R1 代表氢原子或 1 至 6 个碳原子的取代或未取代的烷基；R2 代表通式 (II) 或 (III) ： 其中 m 为 0 或 1，n 为 1 至 3 的整数，Y 为 OH 或 NH2，每条虚线表示一个键合位置，但当 R2 表示通式(III)时，X 表示 NHCO 或 NHCH2；R3 和 R4 独立地表示氢原子或 1 至 6 个碳原子的烷基；和 Ar 代表在 o 和 m 位上被 1 至 6 个碳原子的烷基取代的苯基、取代或未取代的杂芳基或双环芳基，或其药学上可接受的盐，以及用于治疗特别是参与 IV 型过敏反应的过敏性疾病的药物组合物、其中包含上述尿嘧啶衍生物或其药学上可接受的盐作为活性成分，即提供了一种可用于治疗各种过敏性疾病，特别是参与 IV 型过敏反应的疾病的新型化合物，以及一种包含该化合物作为活性成分的治疗过敏性疾病的药物组合物。
• EP1541562
  申请人：——

  公开号：——

  公开（公告）日：——