1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl- | 13351-02-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1,3,5-Triazine-2,4-diamine, 1-(3-chlorophenyl)-1,6-dihydro-6,6-dimethyl-
• 英文别名: 1-(3-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
• CAS: 13351-02-5
• 化学式: C₁₁H₁₄ClN₅
• 分子量: 251.71
• InChiKey: AXIUXECRTOGILY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  1

文献信息

• Dihydrofolate reductase inhibitors
  申请人：——

  公开号：US20030203908A1

  公开（公告）日：2003-10-30

  A compound of formula (I) or (II), wherein X is hydrogen, halogen, alkyl, aralkyl,aryloxy, arylalkoxy or alkoxy, Y is hydrogen, halogen, alkyl, aralkyl, aryloxy, arylalkoxy or alkoxy, or formula (a) wherein A and B are different and one of A and B is CH 2 and the other is O, NH, or S or A and B are both CH 2 or CH═, and R a , R b , and R c are the same or different and are hydrogen, halogen, alkyl, alkoxy, aryloxy, aralkyl or arylalkoxy. R 1 is hydrogen, and R 2 is hydrogen, C 1 -C 6 alkyl or aryl which is unsubstituted or substituted by halogen, cyano, hydroxy, C 1 -C 6 alkyl, which is unsubstituted or substituted by halogen, cyano, hydroxy, C 1 -C 6 alkoxy, aralkyl, aryloxy or aryl, C 1 -C 6 alkoxy, aralkyl, arylalkoxy, aryloxy or aryl, which is unsubstituted or substituted by halogen, cyano, hydroxy, C 1 -C 6 alkyl or C 1 -C 6 alkoxy; and pharmaceutically acceptable salts thereof; with the proviso that when R 2 is phenyl and Y is hydrogen, X is not chlorine. 1

  化合物的化学式(I)或(II)，其中X为氢、卤素、烷基、芳基烷基、芳氧基、芳基烷氧基或烷氧基，Y为氢、卤素、烷基、芳基烷基、芳氧基、芳基烷氧基或烷氧基，或者化学式(a)中A和B不同，A和B中之一为CH2，另一个为O、NH或S，或者A和B都为 或CH═，而Ra、Rb和Rc相同或不同，分别为氢、卤素、烷基、烷氧基、芳氧基、芳基烷基或芳基烷氧基。R1为氢，R2为氢、C1-C6烷基或芳基，未被卤素、氰基、羟基、C1-C6烷基（未被卤素、氰基、羟基、C1-C6烷氧基、芳基烷基、芳氧基或芳基取代）取代或取代的烷基、芳基烷基、芳基烷氧基、芳氧基或芳基，未被卤素、氰基、羟基、C1-C6烷基或C1-C6烷氧基取代或取代的烷基、芳基烷基、芳基烷氧基、芳氧基或芳基；以及其药学上可接受的盐；但当R2为苯基且Y为氢时，X不为氯。
• Compounds and compositions for ossification and methods related thereto
  申请人：Emory University

  公开号：US10888565B2

  公开（公告）日：2021-01-12

  The disclosure relates to compounds and compositions for forming bone and methods related thereto. In one embodiment, the disclosure relates to a composition comprising a compound disclosed herein, such as 2,4-diamino-1,3,5-triazine derivatives or salts thereof, for use in bone growth processes. In a typical embodiment, a bone graft composition is implanted in a subject at a site of desired bone growth or enhancement.

  本公开涉及用于形成骨骼的化合物和组合物及其相关方法。 在一个实施方案中，本公开涉及一种包含本文公开的化合物（如 2,4-二氨基-1,3,5-三嗪衍生物或其盐类）的组合物，用于骨生长过程。 在一个典型的实施方案中，骨移植组合物被植入受试者所需骨生长或增强的部位。
• COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO
  申请人：Emory University

  公开号：EP2605804B1

  公开（公告）日：2017-03-15
• Compounds and Compositions for Ossification and Methods Related Thereto
  申请人：Emory University

  公开号：US20170035771A1

  公开（公告）日：2017-02-09

  The disclosure relates to compounds and compositions for forming bone and methods related thereto. In one embodiment, the disclosure relates to a composition comprising a compound disclosed herein, such as 2,4-diamino-1,3,5-triazine derivatives or salts thereof, for use in bone growth processes. In a typical embodiment, a bone graft composition is implanted in a subject at a site of desired bone growth or enhancement.
• US9511071B2
  申请人：——

  公开号：US9511071B2

  公开（公告）日：2016-12-06