(+/-)-N,N-dibenzyl-2-aminobutan-1-ol | 750592-64-4

• 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: (+/-)-N,N-dibenzyl-2-aminobutan-1-ol
• 英文别名: (RS)-2-(N,N-dibenzylamino)butan-1-ol；(2S)-N,N-dibenzyl-2-aminobutan-1-ol；2-dibenzylamino-butan-1-ol；2-(Dibenzylamino)-1-butanol；2-(dibenzylamino)butan-1-ol
• CAS: 750592-64-4
• 化学式: C₁₈H₂₃NO
• 分子量: 269.387
• InChiKey: RWDGCGHIPSWDTF-UHFFFAOYSA-N

物化性质

• 沸点：
  157-158 °C(Press: 1 Torr)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-N,N-dibenzyl-2-aminobutan-1-ol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (+/-)-N,N-dibenzyl-4-aminohexan-3-ol
  参考文献：
  名称：

  4,5-Dialkylsubstituted 2-imino-1,3-thiazolidine derivatives as potent inducible nitric oxide synthase inhibitors

  摘要：

  In the course of our search for selective iNOS inhibitors, we have previously reported that 2-imino-1,3-oxazolidine derivatives (1) and 2-aminothiazole derivatives (2) are selective iNOS inhibitors. In order to find more potent iNOS inhibitors, we focused our efforts on the synthesis and evaluation of the inhibitory activity against iNOS and selectivity for iNOS both in vitro and in vivo of a series of 2-imino-1,3-thiazolidine derivatives (3), which are analogues of I and 2. Our results show that among the compounds synthesized (4R,5R)-5-ethyl-2-imino-4-methyl-1,3-thiazolidine [(4R,5R)-14a: ES-1537] exhibited potent inhibitory activity and selectivity for iNOS. In addition, ES-1537 had good pharmacokinetic profile in rats with BA value of 80%. It is therefore expected that ES-1537 may be therapeutically useful for the treatment of diseases related to excess production of NO. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.031
• 作为产物：
  描述：

  (S)-benzyl 2-(dibenzylamino)butanoate 在 lithium aluminium tetrahydride 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以18.3 g的产率得到(+/-)-N,N-dibenzyl-2-aminobutan-1-ol
  参考文献：
  名称：

  Parallel Kinetic Resolution of Acyclic γ-Amino-α,β-unsaturated Esters: Application to the Asymmetric Synthesis of 4-Aminopyrrolidin-2-ones

  摘要：

  Conjugate addition of a 50:50 pseudoenantiomeric mixture of lithium (R)-N-benzyl-N(alpha-methylbenzyl)amide and lithium (S)-N-3,4-dimethoxybenzyl-N-(alpha-methylbenzyl)amide to a range of racemic acyclic gamma-amino-alpha,beta-unsaturated esters (derived from the corresponding a-amino acids) effects their efficient parallel kinetic resolution, allowing the preparation of enantiopure beta,gamma-diamino esters. The beta,gamma-dlamlno ester products of these reactions are readily converted into the corresponding substituted 4-aminopyrrolidin-2-ones via N-debenzylation and cyclization.

  DOI：

  10.1021/ol203011u

文献信息

• Stabilization of electrically conducting capillary bridges using feedback control of radial electrostatic stresses and the shapes of extended bridges
  作者：Mark J. Marr-Lyon、David B. Thiessen、Florian J. Blonigen、Philip L. Marston

  DOI：10.1063/1.870354

  日期：2000.5

  Electrically conducting, cylindrical liquid bridges in a density-matched, electrically insulating bath were stabilized beyond the Rayleigh–Plateau (RP) limit using electrostatic stresses applied by concentric ring electrodes. A circular liquid cylinder of length L and radius R in real or simulated zero gravity becomes unstable when the slenderness S=L/2R exceeds π. The initial instability involves

  使用由同心环电极施加的静电应力，密度匹配的电绝缘浴中的导电圆柱形液桥稳定在瑞利-高原 (RP) 极限之外。当细长 S=L/2R 超过 π 时，在真实或模拟零重力下，长度为 L 和半径为 R 的圆形液体圆柱体变得不稳定。初始不稳定性涉及桥的所谓 (2, 0) 模式的增长，其中一侧变薄而另一侧变圆。模式传感光学系统检测 (2, 0) 模式的增长，模拟反馈系统将适当的电压施加到位于桥端附近的一对同心环电极，以抵消 (2, 0) 模式的增长。 , 0) 模式并防止桥的断裂。导电桥在接地的金属盘之间形成。测试了三种反馈算法，发现每种算法都能够使桥梁稳定得远远超出 RP 限制。所有三种算法都稳定...
• Enantiomerically Pure [1, 2-Diamino-1-(4-fluorophenyl)butane]platinum(II) Complexes: Synthesis and Antitumor Activity against MCF-7 and MDA-MB 231 Breast Cancer and LnCaP/FGC Prostate Cancer Cell Lines
  作者：Anja Dullin、Francois Dufrasne、Michael Gelbcke、Ronald Gust

  DOI：10.1002/ardp.200400621

  日期：2004.12

  Enantiomerically pure 1, 2‐diamino‐1‐(4‐fluorophenyl)butanes were synthesized by stereoselective procedures. The enantiomeric purity was determined by 1H NMR spectroscopy after derivatization with (1R)‐myrtenal. For the coordination to platinum, the diamines were reacted with K2PtI4. Reaction with Ag2SO4 yielded the respective sulfatoplatinum(II) complexes, which were converted into the dichloroplatinum(II)

  对映异构纯 1, 2-diamino-1- (4-fluorophenyl) 丁烷是通过立体选择性程序合成的。在用（1R）-肉豆蔻醛衍生化后，通过 1H NMR 光谱测定对映体纯度。为了与铂配位，二胺与 K2PtI4 反应。与 Ag2SO4 反应产生相应的硫酸合铂 (II) 配合物，通过用 2N HCl 处理将其转化为二氯铂 (II) 配合物。在MCF-7和MDA-MB 231乳腺癌细胞系以及LnCaP/FGC前列腺癌细胞系上研究了构型和离去基团种类对抗肿瘤活性的影响。结果表明，二氯铂 (II) 复合物比各自的二碘铂 (II) 衍生物更具活性。转化为硫酸铂 (II) 复合物进一步增强了抗增殖作用。该配置决定了抗肿瘤作用，取决于所使用的细胞系：MCF-7：(R, R)> (S, S)> (R, S)> (S, R)；MDA-MB 231：（S，S）>（R，R）>（R，S）=（S，R）；LnC
• COMPOUNDS
  申请人：SHELDRAKE Peter William

  公开号：US20100093769A1

  公开（公告）日：2010-04-15

  The present invention relates to compounds of formula (I) wherein: R 1 and R 2 are each independently H, alkyl or haloalkyl; R 3 and R 4 are each independently H, alkyl, haloalkyl or aryl; R 5 is alkyl or cycloalkyl or cycloalkyl-alkyl, each of which may be optionally substituted with one or more OH groups; R 6 is selected from cyclopropylamino, cyclopropylmethylamino, cyclobutylamino, cyclobutylmethylamino and where one of X, Y and Z is N and the remainder are CR 9 ; R 7 , R 8 and each R 9 are independently H, alkyl or haloalkyl, wherein at least one of R 7 , R 8 and each R 9 is other than H. A further aspect of the invention relates to pharmaceutical compositions comprising compounds of formula (I), and the use of said compounds in treating proliferative disorders, viral disorders, stroke, alopecia, CNS disorders, neurodegenerative disorders, or diabetes.

  本发明涉及式(I)化合物，其中： R1和R2各自独立地为H、烷基或卤代烷基； R3和R4各自独立地为H、烷基、卤代烷基或芳基； R5为烷基或环烷基或环烷基烷基，每个基团可以选择性地被一个或多个OH基团取代； R6选自环丙基氨基、环丙基甲基氨基、环丁基氨基、环丁基甲基氨基和其中的一个，其中X、Y和Z中的一个为N，其余为CR9； R7、R8和每个R9各自独立地为H、烷基或卤代烷基，其中至少一个R7、R8和每个R9不是H。 本发明的另一个方面涉及包含式(I)化合物的药物组合物，以及使用该化合物治疗增殖性疾病、病毒性疾病、中风、脱发、中枢神经系统疾病、神经退行性疾病或糖尿病的方法。
• COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS
  申请人：GREEN Simon

  公开号：US20100143350A1

  公开（公告）日：2010-06-10

  The present invention relates to combination comprising (i) an ErbB inhibitor; and (ii) a CDK inhibitor, or a pharmaceutically acceptable salt thereof, selected from: (a) roscovitine; (b) 3-9-isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-pentan-2-ol; (c) 3-9-isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol; and (d) (2R,3S-3-(6-((4,6-dimethylpyridin-3-ylmethylamino)-9-isopropyl-9H-purin-2-ylamino)pentan-2-ol. Further aspects of the invention relate to pharmaceutical products and pharmaceutical compositions comprising combinations according to the invention, and methods of treatment using the same.

  本发明涉及一种组合物，包括（i）ErbB抑制剂；和（ii）CDK抑制剂，或其药学上可接受的盐，所选自：（a）罗斯可维汀；（b）3-9-异丙基-6-[(吡啶-3-基甲基)-氨基]-9H-嘌呤-2-基氨基}-2-甲基戊烷-2-醇；（c）3-9-异丙基-6-[(吡啶-3-基甲基)-氨基]-9H-嘌呤-2-基氨基}-戊烷-2-醇；和（d）（2R,3S-3-(6-((4,6-二甲基吡啶-3-基甲基氨基)-9-异丙基-9H-嘌呤-2-基氨基)戊烷-2-醇。本发明的其他方面涉及包括本发明的组合物的制药产品和制药组合物，以及使用它们进行治疗的方法。
• ANTITUMORAL COMPOUNDS
  申请人：PHARMA MAR, S.A.

  公开号：EP1287006B1

  公开（公告）日：2007-10-24