N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
• 化学式: C₁₉H₁₈N₄O₂S
• 分子量: 366.444
• InChiKey: BMISXRXCBRDREH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Thieno[2,3-d]Pyrimidine Derivatives, Preparation Method and Use Thereof
  申请人：Lu Canzhong

  公开号：US20150080416A1

  公开（公告）日：2015-03-19

  This invention provides thieno[2,3-d]pyrimidine derivatives containing isoxazole heterocycle represented by formula (I), or pharmaceutically acceptable salts thereof Wherein: R 1 and R 2 may be the same or different and is independently to each other selected from H, C 1-6 alkyl, C 1-6 alkoxy, halo-C 1-6 alkyl or halo-C 1-6 alkoxy, aryl group optionally substituted by R 7 or heteroaryl group optionally substituted by R 8 ; or R 1 and R 2 together with the carbon atoms to which they are attached, may form a 4- to 6-membered carbocyclic ring or heterocyclic ring; said carbocyclic ring or heterocyclic ring is optionally substituted by H, C 1-6 alkyl, halogen, nitro, or amino; said heterocyclic ring contains at least one heteroatom selected from N, O or S; Z is —NR 6 —, C(R 6 ) 2 , —S— or —O—, in which R 5 is H or C 1-6 alkyl, and R 6 is the same or different, selected from H, C 1-6 alkyl or hydroxyl substituted C 1-6 alkyl; R 3 is selected from H, halogen, C 1-6 alkyl, C 1-6 alkoxy, halo-C 1-6 alkyl or halo-C 1-6 alkoxy; n is an integer of 0-5; R 4 is selected from H, C 1-6 alkyl, C 1-6 alkoxy or halo-C 1-6 alkyl, aryl group optionally substituted by R 9 , or heteroaryl group optionally substituted by R 10 ; R 7 , R 8 , R 9 or R 10 independently to each other, is selected from H, hydroxy, mercapto, cyano, amino, nitro, halogen, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylthio, carboxy, halo-C 1-6 alkyl or halo-C 1-6 alkoxy. This invention also provides the preparation method and medicinal uses of the compounds of formula (I) and pharmaceutically acceptable salts thereof. and this class of compounds can be used as medicants or lead compounds for the treatment of diseases such as tumors, cancers.

  本发明提供了含有异噁唑杂环的噻吩[2,3-d]嘧啶衍生物，其化学式为（I），或其药学上可接受的盐。其中：R1和R2可能相同或不同，且分别独立地选自H、C1-6烷基、C1-6烷氧基、卤代C1-6烷基或卤代C1-6烷氧基、芳基（可选地被R7取代）或杂环芳基（可选地被R8取代）；或者R1和R2连同它们所连接的碳原子，可能形成4-6成员的碳环或杂环；所述碳环或杂环可选地被H、C1-6烷基、卤素、硝基或氨基取代；所述杂环含有至少一个选自N、O或S的杂原子；Z为—NR6—、C(R6)2、—S—或—O—，其中R5为H或C1-6烷基，R6为相同或不同，选自H、C1-6烷基或羟基取代的C1-6烷基；R3选自H、卤素、C1-6烷基、C1-6烷氧基、卤代C1-6烷基或卤代C1-6烷氧基；n为0-5的整数；R4选自H、C1-6烷基、C1-6烷氧基或卤代C1-6烷基、芳基（可选地被R9取代）或杂环芳基（可选地被R10取代）；R7、R8、R9或R10相互独立地选自H、羟基、巯基、氰基、氨基、硝基、卤素、C1-6烷基、C1-6烷氧基、C1-6烷硫基、羧基、卤代C1-6烷基或卤代C1-6烷氧基。本发明还提供了化合物（I）及其药学上可接受的盐的制备方法和药用用途。这类化合物可用作药物或治疗肿瘤、癌症等疾病的先导化合物。
• [EN] THIOPHENE [2, 3-D] PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF<br/>[FR] DÉRIVÉ DE THIOPHÈNE[2,3-D]PYRIMIDINE ET SON PROCÉDÉ DE PRÉPARATION ET D'UTILISATION
  申请人：FUJIAN MATTER STRUCTURE

  公开号：WO2014043866A1

  公开（公告）日：2014-03-27

  提供一种式（I）所示的含异噁唑杂环的噻吩［2,3-d］嘧啶衍生物或其药学上可接受的盐，它们的制备方法、用途和药物组合物。该类化合物可用于治疗肿瘤、癌症等疾病。
• THIOPHENE [2, 3-D]PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF
  申请人：Fujian Institute Of Research On The Structure Of Matter, Chinese Academy Of Sciences

  公开号：EP2835372B1

  公开（公告）日：2016-05-04
• US9434741B2
  申请人：——

  公开号：US9434741B2

  公开（公告）日：2016-09-06