2-N-benzyl-3-methylpyridine-2,5-diamine | 867012-63-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-N-benzyl-3-methylpyridine-2,5-diamine
• CAS: 867012-63-3
• 化学式: C₁₃H₁₅N₃
• 分子量: 213.282
• InChiKey: XAMAFOXFYGUKSY-UHFFFAOYSA-N

物化性质

• 沸点：
  412.1±40.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-N-benzyl-3-methylpyridine-2,5-diamine 在 吡啶 、 盐酸 、 三氟化硼乙醚 、 sodium sulfate 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 propan-2-yl (2R,4S)-4-amino-6-(benzylamino)-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
  参考文献：
  名称：

  Design, synthesis and structure–activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors

  摘要：

  This Letter describes the discovery and SAR optimization of 1,5-tetrahydronaphthyridines, a new class of potent CETP inhibitors. The effort led to the identification of 21b and 21d with in vitro human plasma CETP inhibitory activity in the nanomolar range (IC50 = 23 and 22 nM, respectively). Both 21b and 21d exhibited robust HDL-c increase in hCETP/hApoA1 dual heterozygous mice model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.075
• 作为产物：
  描述：

  2-氯-3-甲基-5-硝基吡啶 在 palladium 10% on activated carbon 、 ammonium acetate 、 palladium diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 2-N-benzyl-3-methylpyridine-2,5-diamine
  参考文献：
  名称：

  Design, synthesis and structure–activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors

  摘要：

  This Letter describes the discovery and SAR optimization of 1,5-tetrahydronaphthyridines, a new class of potent CETP inhibitors. The effort led to the identification of 21b and 21d with in vitro human plasma CETP inhibitory activity in the nanomolar range (IC50 = 23 and 22 nM, respectively). Both 21b and 21d exhibited robust HDL-c increase in hCETP/hApoA1 dual heterozygous mice model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.075

文献信息

• Compounds and methods for treating dyslipidemia
  申请人：Bell Gregory Michael

  公开号：US20070173526A1

  公开（公告）日：2007-07-26

  The present invention discloses compounds of formula (I) wherein A, n, q, K, W, X, Y; Z, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are as defined herein and their pharmaceutical compositions and methods of use are disclosed as useful for treating dyslipidemia and its sequelae.

  本发明披露了化合物的公式（I），其中A，n，q，K，W，X，Y; Z，R1，R2，R3，R4，R5和R6如本文所定义，并披露了它们的药物组成物和使用方法，用于治疗脂质代谢紊乱及其后遗症。
• THERAPEUTIC QUINAZOLINE DERIVATIVES
  申请人：AstraZeneca AB

  公开号：EP1218355A1

  公开（公告）日：2002-07-03
• US7235559B1
  申请人：——

  公开号：US7235559B1

  公开（公告）日：2007-06-26
• US7470705B2
  申请人：——

  公开号：US7470705B2

  公开（公告）日：2008-12-30
• [EN] THERAPEUTIC QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES THERAPEUTIQUES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2001021597A1

  公开（公告）日：2001-03-29

  A compound of formula (I) or a salt, ester, amide or prodrug thereof; where X is O, or S, S(O), S(O)2 or NR6 where R6 is hydrogen of C¿1-6?alkyl; R?5¿ is an optionally substituted 6-membered aromatic ring containing at least one nitrogen atom, and R?1, R2, R3, R4¿ are independently selected from halogeno, cyano, nitro, C¿1-3?alkylsulphanyl, -N(OH)R?7¿-(wherein R7 is hydrogen, or C¿1-3?alkyl), or R?9X1¿-(wherein X1represents a direct bond, -O-, -CH¿2?-, -OC(O), -C(O)-, -S-, -SO-, -SO2-, -NR?10¿C(O)-, -C(O)NR11-, -SO¿2?NR?12-, -NR13SO¿2- or NR14-(wherein R?10, R11, R12, R13 and R14¿ each independently represents hydrogen, C¿1-3?alkyl or C1-3alkoxyC2-3alkyl), and R?9¿ is hydrogen, optionally substituted hydrocarbyl, optionally substituted heterocyclyl or optionally substituted alkoxy; provided that at least one of R2 or R3 is other than hydrogen. These compounds inhibit aurora 2 kinase and are useful in the preparation of medicaments for the treatment of proliferative disease such as cancer.