3-[(二甲氨基)甲基]苯甲醛 | 80708-77-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-[(二甲氨基)甲基]苯甲醛
• 中文别名: 3-(二甲基氨基甲基)苯甲醛
• 英文名称: 3-[(dimethylamino)methyl]-benzaldehyde
• 英文别名: 3-[(dimethylamino)methyl]benzaldehyde；3-(dimethylaminomethyl)benzaldehyde；3-dimethylaminomethylbenzaldehyde；3-(N,N-dimethyl)aminomethylbenzaldehyde
• CAS: 80708-77-6
• 化学式: C₁₀H₁₃NO
• mdl: MFCD08060612
• 分子量: 163.219
• InChiKey: FHKTUGAQZLCFTP-UHFFFAOYSA-N

物化性质

• 沸点：
  234.9±23.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922399090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  5,6-二甲氧基茚酮 、 3-[(二甲氨基)甲基]苯甲醛 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以80.1%的产率得到(E )-2-{3-[(dimethylamino)methyl]benzylidene}-5,6-dimethoxy-2,3-dihydroinden-1-one
  参考文献：
  名称：

  Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives

  摘要：

  A new series of indanone and aurone derivatives have been synthesized and tested for in vitro AChE inhibitory activity by modified Ellman method. Most of them exhibit AChE inhibitory activities superior to rivastigmine. Further, the most potent compound 1g was selected to evaluate the effect on the acquisition and memory impairment by mice step-down passive avoidance test. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.03.003
• 作为产物：
  描述：

  methyl 3-<(dimethylamino)methyl>benzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 2.0h， 以46%的产率得到3-[(二甲氨基)甲基]苯甲醛
  参考文献：
  名称：

  Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives

  摘要：

  A new series of indanone and aurone derivatives have been synthesized and tested for in vitro AChE inhibitory activity by modified Ellman method. Most of them exhibit AChE inhibitory activities superior to rivastigmine. Further, the most potent compound 1g was selected to evaluate the effect on the acquisition and memory impairment by mice step-down passive avoidance test. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.03.003

文献信息

• Aminoisoquinolines and aminotheinopyridine derivatives and their use as
  申请人：Astra Pharmaceuticals, Ltd.

  公开号：US06063789A1

  公开（公告）日：2000-05-16

  Compounds of formula I ##STR1## wherein R, R.sup.1, R.sup.2, and R.sup.3 and A are as defined herein, together with pharmaceutically acceptable salts, enantiomers or tautomers are useful as pharmaceuticals, particularly in the treatment of inflammatory disease.

  式I的化合物##STR1##其中R、R.sup.1、R.sup.2和R.sup.3以及A如本文所定义，连同药学上可接受的盐、对映体或互变体，在药物中具有用途，特别是在治疗炎症性疾病方面。
• Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation and structure–activity relationships. Part 2
  作者：Takao Horiuchi、Motoko Nagata、Mayumi Kitagawa、Kouichi Akahane、Kouichi Uoto

  DOI：10.1016/j.bmc.2009.10.039

  日期：2009.12

  The design, synthesis and evaluation of novel thieno[2,3-d]pyrimidin-4-yl hydrazone analogues as cyclin-dependent kinase 4 (CDK4) inhibitor are described. Focusing on the optimization of the heteroaryl moiety at the hydrazone with substituted phenyl groups, 4-[(methylamino)methyl]benzaldehyde (22) and 5-isoindolinecarbaldehyde (24) (6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazone derivatives have

  描述，设计和合成新型噻吩并[2,3 - d ]嘧啶-4-基类似物作为细胞周期蛋白依赖性激酶4（CDK4）抑制剂。重点研究the上带有取代苯基，4-[（（甲基氨基）甲基]苯甲醛（22）和5-异二氢吲哚甲醛（24）（6-叔丁基硫代[2,3- d ]嘧啶-已经鉴定出4-基）hydr衍生物。在本文中，讨论了我们合成化合物的效价，选择性和结构活性关系。
• Optimization of Imidazo[4,5-<i>b</i>]pyridine-Based Kinase Inhibitors: Identification of a Dual FLT3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia
  作者：Vassilios Bavetsias、Simon Crumpler、Chongbo Sun、Sian Avery、Butrus Atrash、Amir Faisal、Andrew S. Moore、Magda Kosmopoulou、Nathan Brown、Peter W. Sheldrake、Katherine Bush、Alan Henley、Gary Box、Melanie Valenti、Alexis de Haven Brandon、Florence I. Raynaud、Paul Workman、Suzanne A. Eccles、Richard Bayliss、Spiros Linardopoulos、Julian Blagg

  DOI：10.1021/jm300952s

  日期：2012.10.25

  children with acute myeloid leukemia (AML), conferring a poor prognosis in both age groups. In an in vivo setting, 27e strongly inhibited the growth of a FLT3-ITD-positive AML human tumor xenograft (MV4–11) following oral administration, with in vivo biomarker modulation and plasma free drug exposures consistent with dual FLT3 and Aurora kinase inhibition. Compound 27e, an orally bioavailable dual FLT3 and

  对基于咪唑并[4,5 - b ]吡啶的系列极光激酶抑制剂进行优化，鉴定出 6-chloro-7-(4-(4-chlorobenzyl)pirazin-1-yl)-2-(1, 3-dimethyl-1 H -pyrazol-4-yl)-3 H -imidazo[4,5- b ]pyridine ( 27e )，一种强效的 Aurora 激酶抑制剂 (Aurora-A K d = 7.5 nM, Aurora-B K d = 48 nM)、FLT3 激酶 ( K d = 6.2 nM) 和 FLT3 突变体，包括 FLT3-ITD ( K d = 38 nM) 和 FLT3(D835Y) ( K d = 14 nM)。FLT3-ITD 引起组成型 FLT3 激酶激活，在 20-35% 的成人和 15% 的急性髓性白血病 (AML) 患儿中检测到，这两个年龄组的预后都很差。在体内环境中，27e在口服给药后强烈抑制FLT3
• Pyrimidones having histamine H.sub.2 -antagonist activity
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04388317A1

  公开（公告）日：1983-06-14

  The compounds of this invention are 5-[dialkylaminoalkylfuranyl (or thienyl, phenyl or pyridyl)]-4-pyrimidones having histamine H.sub.2 -antagonist activity. A specific compound of this invention is 2-[2-(5-dimethylaminomethyl-2-furanylmethylthio)ethylamino]-5-(5-dimethyla minomethyl-2-furanylmethyl)-4-pyrimidone.

  这项发明的化合物是具有组织胺H.sub.2-拮抗活性的5-[二烷氨基烷基呋喃基（或噻吩基、苯基或吡啶基）]-4-嘧啶酮。这项发明的一个具体化合物是2-[2-(5-二甲基氨甲基-2-呋喃基甲硫基)乙基氨基]-5-(5-二甲基氨甲基-2-呋喃基甲基)-4-嘧啶酮。
• Regulation of meiosis
  申请人：——

  公开号：US20030004148A1

  公开（公告）日：2003-01-02

  Compounds of Formula I and methods of regulating the meiosis in a mammalian germ cell which method comprises administering an effective amount of the compound of Formula I to a germ cell in need of such a treatment.

  公式I的化合物和调控哺乳动物生殖细胞减数分裂的方法，所述方法包括向需要此类治疗的生殖细胞中施用公式I的化合物的有效量。