N,N'-二烯丙基-6-氯-1,3,5-三嗪-2,4-二胺 | 15468-86-7

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: N,N'-二烯丙基-6-氯-1,3,5-三嗪-2,4-二胺
• 英文名称: 4,6-bis(allylamino)-2-chloro-1,3,5-triazine
• 英文别名: 2-chloro-4.6-bis(2-propenylamino)-1,3,5-triazine；4,6-diallylamino-2-chloro-1,3,5-triazine；N,N-diallyl-6-chloro-[1,3,5]triazine-2,4-diamine；N²,N⁴-diallyl-6-chloro-[1,3,5]triazine-2,4-diyldiamine；N²,N⁴-Diallyl-6-chlor-[1,3,5]triazin-2,4-diyldiamin；2,4-diallylamino-6-chloro-1,3,5-triazine；N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine；6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
• CAS: 15468-86-7
• 化学式: C₉H₁₂ClN₅
• 分子量: 225.681
• InChiKey: JVNONOVWALQTEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933699090

反应信息

• 作为反应物：
  描述：

  N,N'-二烯丙基-6-氯-1,3,5-三嗪-2,4-二胺 在 盐酸 、 3 A molecular sieve 、 sodium cyanoborohydride 作用下， 以 甲醇 、 正丁醇 为溶剂， 反应 31.0h， 生成 S 9788
  参考文献：
  名称：

  New triazine derivatives as potent modulators of multidrug resistance

  摘要：

  A series of 70 triazine derivatives have been synthesized and tested for their capacity to modulate multidrug resistance (MDR) in DC-3F/AD and KB-A1 tumor cells in vitro, in comparison with verapamil (VRP), a calcium channel antagonist currently used in therapy as an antihypertensive drug, which also shows MDR modulating activity. Among the 12 selected compounds, 16 (S9788) showed high MDR reversing properties in vitro (300- and 6-fold VRP at 5-mu-M in DC-3F/AD and KB-A1 cells, respectively) and induced a strong accumulation of adriamycin. The relationship between the increase of ADR accumulation and the fold reversal induced by these compounds and their lack of effects on the sensitive DC-3F cells suggest that they act mainly by inhibiting the P-glycoprotein (Pgp) catalyzed efflux of cytotoxic agents, as already described for a majority of MDR modulators. In vivo, in association with the antitumor drug vincristine (0.25 mg/kg), 16 (100 mg/kg) increased the TIC by 39% in mice bearing the resistant tumor cell line P388/VCR. According to these interesting properties, 16 was selected for a clinical development because it was more bioavailable than 34, even though it was less active.

  DOI：

  10.1021/jm00091a017
• 作为产物：
  描述：

  三聚氯氰 、 丙烯胺 在 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以86%的产率得到N,N'-二烯丙基-6-氯-1,3,5-三嗪-2,4-二胺
  参考文献：
  名称：

  基于超动态阴离子簇的有机框架

  摘要：

  可以动态扩展其空隙以供客人吸收的多孔有机框架仍然难以设计。挑战来自于在刚性和灵活性之间找到平衡。保持框架需要刚性，可逆膨胀/收缩需要灵活性。在此，我们引入硫酸氢根阴离子簇作为软接头来构建单晶氢键交联有机骨架 H C OF-6。在吸收客体分子后，H C OF-6 的阴离子簇被破坏，使晶体迅速膨胀（<40 分钟）至其原始长度的两倍以上。去除这些客体恢复了阴离子簇和 H C的结晶度OF-6 快速（<10 分钟）。这些客体引起的材料尺寸膨胀和收缩是高度可逆的，动态阴离子簇解离-再结合通过分子动力学模拟和固态核磁共振实验得到证实。客体诱导的 H C OF-6 尺寸变化突出了一种通过引入阴离子簇来合成动态骨架材料的新方法。

  DOI：

  10.1016/j.chempr.2021.11.014

文献信息

• Amines useful in producing pharmaceutically active CNS compounds
  申请人：Upjohn Company

  公开号：US05099019A1

  公开（公告）日：1992-03-24

  Disclosed are .DELTA..sup.9(11) -steroids (VI) and amino substituted steroids (XI) which contain an amino group attached to the terminal carbon atom of the C.sub.17 -side chain, more particularly amino steroids (Ia and Ib), aromatic steroids (II), .DELTA..sup.16 -steroids (IIIa and IIIb), reduced A-ring steroids (IV), .DELTA..sup.17(20) -steroids (Va and Vb) and .DELTA..sup.9(11) -steroids (VI) which are useful as pharmaceutical agents for treating a number of conditions.

  披露了包含连接到C.sub.17-侧链的末端碳原子的氨基类固醇（VI）和氨基取代类固醇（XI），更具体地是氨基类固醇（Ia和Ib），芳香类固醇（II），Δ9(11)-类固醇（IIIa和IIIb），还原A环类固醇（IV），Δ17(20)-类固醇（Va和Vb）和Δ9(11)-类固醇（VI），这些类固醇可用作治疗多种疾病的药物。
• Pharmaceutically active amines
  申请人：Upjohn

  公开号：US05120843A1

  公开（公告）日：1992-06-09

  The aromatic amines (I), alkyl amines (II), bicyclic amines (III). ##STR1## cycloalkyl amines (IV), aromatic bicyclic amines (V), hydroquinone amines (VI), quinone amines (VII), amino-ethers (VIII) and bicyclic amino ethers (IX) are useful as pharmaceutical agents for treating a number of conditions including spinal trauma, mild and/or moderate to severe head injury, etc. Also disclosed is a method of treatment using the 3,4-dihydrobenzopyrans (XI).

  芳香胺（I），烷基胺（II），双环胺（III），环烷基胺（IV），芳香双环胺（V），氢醌胺（VI），醌胺（VII），氨基醚（VIII）和双环氨基醚（IX）可用作治疗多种疾病的药物，包括脊椎创伤、轻微和/或中度至严重头部损伤等。还公开了一种使用3,4-二氢苯并吡喯（XI）的治疗方法。
• Amino-9,10-secosteroids useful for treating head injury, spinal cord
  申请人：The Upjohn Company

  公开号：US04996318A1

  公开（公告）日：1991-02-26

  The amino-9,10-secosteroids ##STR1## of the present invention contain an amino group attached to the terminal carbon atom of the C.sub.17 -side chain and are useful as pharmaceutical agents for treating a number of conditions including spinal trauma, mild and/or moderate to severe head injury, etc.

  本发明的氨基-9,10-次甾体类固醇包含一个氨基团附加在C.sub.17-侧链的末端碳原子上，并可用作治疗多种病症的药物，包括脊柱创伤、轻度和/或中度至重度头部创伤等。
• Trisubstituted triazines
  申请人：Adir et Compagnie

  公开号：US05238936A1

  公开（公告）日：1993-08-24

  The compounds are trisubstituted triazines and pyrimidines useful for the suppressing the resistance of tumour cells to anti-cancer agents and for suppressing the resistance of parasites to anti-parasitic agents. A compound disclosed is 2,4-diallylamino-6-4-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl) methylamino]piperidin-1-yl}-1,3,5-triazine.

  这些化合物是三取代三嗪和嘧啶，可用于抑制肿瘤细胞对抗癌药物的耐药性以及抑制寄生虫对抗寄生虫药物的耐药性。其中一种化合物是2,4-二烯丙基氨基-6-4-[(10,11-二氢-5H-二苯并[a,d]环庚烯-5-基)甲基氨基]哌啶-1-基}-1,3,5-三嗪。
• Triazinyl-piperidines as light stabilizers for polymers
  申请人：American Cyanamid Company

  公开号：US04400505A1

  公开（公告）日：1983-08-23

  Compounds of the formula ##STR1## wherein at least one of the groups contains a 4-piperidinyl moiety are disclosed as light stabilizers for polymers.

  本发明揭示了一种具有以下式子的化合物作为聚合物的光稳定剂：##STR1## 其中至少一个基团包含4-哌啶基团。