3-[(allylmethylamino)methyl]phenylamine | 937271-56-2

• 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: 3-[(allylmethylamino)methyl]phenylamine
• 英文别名: 3-((Allyl(methyl)amino)methyl)aniline；3-[[methyl(prop-2-enyl)amino]methyl]aniline
• CAS: 937271-56-2
• 化学式: C₁₁H₁₆N₂
• 分子量: 176.261
• InChiKey: YAJOKZLZNWKENK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[(allylmethylamino)methyl]phenylamine 在 盐酸 、 碘代三甲硅烷 、 caesium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 乙腈 、 正丁醇 为溶剂， 生成 4-(3-but-3-enoxyphenyl)-N-[3-[[methyl(prop-2-enyl)amino]methyl]phenyl]pyrimidin-2-amine
  参考文献：
  名称：

  Acid Mediated Ring Closing Metathesis: A Powerful Synthetic Tool Enabling the Synthesis of Clinical Stage Kinase Inhibitors

  摘要：

  强大的烯烃转化反应被用于合成晚期临床药剂SB1317和SB1518。在这两种情况下，环戊烯烃开环反应似乎只在酸的存在下进行，并主要生成反异构体。对于SB1518，它在HCl酸的存在下进行，而对于SB1317，主要在三氟乙酸（TFA）的存在下进行。

  DOI：

  10.2533/chimia.2015.142
• 作为产物：
  描述：

  间硝基氯化苄 在 盐酸 、 tin 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 氯仿 、 水 为溶剂， 生成 3-[(allylmethylamino)methyl]phenylamine
  参考文献：
  名称：

  COLORED CHARGED SILSESQUIOXANES

  摘要：

  本发明提供了一种阳离子和阴离子的盐，其中该阳离子包括(i) 公式的硅倍半氧烷基团(ii) 一种色团基团D，该色团基团D可以被选自C1-10-烷基、苯基、卤素、OC1-6-烷基、羟基、NH2和NO2的一种或多种取代基所取代，以及(iii) 一种公式的基团L4为C1-20-烷基、苯基-C1-20-烷基或C1-20-烷基-苯基-C1-20-烷基，R11、R12、R13和R14彼此独立地为氢或C1-4-烷基，R15、R16、R17和R18彼此独立地为C1-4-烷基，R19为C1-20-烷基，该烷基可以被苯基、O-C1-6-烷基或NO2取代，d为1到25的整数，以及包括该盐的电泳设备。

  公开号：

  US20160075725A1

文献信息

• Solid state forms of macrocyclic kinase inhibitors
  申请人：Mansfield Robert K.

  公开号：US09120815B2

  公开（公告）日：2015-09-01

  Provided herein are salt forms of macrocyclic protein kinase inhibitors, pharmaceutical compositions containing the same, methods of making and using these compounds and compositions to treat proliferative disease mediated by kinase activity.

  本文提供了大环蛋白激酶抑制剂的盐形式，包含这些盐形式的药物组合物，制备和使用这些化合物和组合物的方法，用于治疗由激酶活性介导的增殖性疾病。
• 착색 하전 실세스퀴옥산
  申请人：BASF SE 바스프 에스이(519980665444)

  公开号：KR101654452B1

  公开（公告）日：2016-09-05

  본 발명은 하기 화학식 II가 하기 화학식 III인 하기 화학식 1A의 화합물 및 하기 화학식 IV가 하기 화학식 V인 하기 화학식 1B의 화합물, 및 이러한 화학식 1A 또는 1B의 화합물을 포함하는 전기영동 장치를 제공한다. <화학식 1A> <화학식 II> <화학식 III> <화학식 1B> <화학식 IV> <화학식 V>

  本发明提供了一种电泳装置，包括式1A的化合物，其中式II是式III，和式1B的化合物，其中式IV是式V，以及式1A或1B的化合物。<式1A> <式II> <式III> <式1B> <式IV> <式V
• OXYGEN LINKED PYRIMIDINE DERIVATIVES
  申请人：Blanchard Stephanie

  公开号：US20120196855A1

  公开（公告）日：2012-08-02

  The present invention relates to pyrimidine compounds that are useful as anti-proliferative agents. More particularly, the present invention relates to oxygen linked and substituted pyrimidine compounds, methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of proliferative disorders. These compounds may be useful as medicaments for the treatment of a number of proliferative disorders including tumours and cancers as well as other disorders or conditions related to or associated with kinases.

  本发明涉及嘧啶化合物，其作为抗增殖剂具有用处。更具体地说，本发明涉及氧连接和取代的嘧啶化合物，其制备方法，含有这些化合物的制药组合物以及这些化合物在治疗增殖性疾病方面的用途。这些化合物可用作治疗许多增殖性疾病，包括肿瘤和癌症以及与激酶相关或相关的其他疾病或病况的药物。
• HETEROALKYL LINKED PYRIMIDINE DERIVATIVES
  申请人：Blanchard Stephanie

  公开号：US20090258886A1

  公开（公告）日：2009-10-15

  The present invention relates to pyrimidine compounds that are useful as anti-proliferative agents. More particularly, the present invention relates to heteroalkyl linked and substituted pyrimidine compounds, methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of proliferative disorders. These compounds may be useful as medicaments for the treatment of a number of proliferative disorders including tumours and cancers as well as other conditions or disorders associated with kinases.

  本发明涉及用作抗增殖剂的嘧啶化合物。更具体地说，本发明涉及杂原子烷基连接和取代的嘧啶化合物，其制备方法，含有这些化合物的制药组合物以及在治疗增殖性疾病中使用这些化合物的用途。这些化合物可能作为药物对许多增殖性疾病，包括肿瘤和癌症以及与激酶相关的其他疾病或疾病的治疗有用。
• Discovery of Kinase Spectrum Selective Macrocycle (16<i>E</i>)-14-Methyl-20-oxa-5,7,14,26-tetraazatetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene (SB1317/TG02), a Potent Inhibitor of Cyclin Dependent Kinases (CDKs), Janus Kinase 2 (JAK2), and Fms-like Tyrosine Kinase-3 (FLT3) for the Treatment of Cancer
  作者：Anthony D. William、Angeline C.-H. Lee、Kee Chuan Goh、Stéphanie Blanchard、Anders Poulsen、Ee Ling Teo、Harish Nagaraj、Chai Ping Lee、Haishan Wang、Meredith Williams、Eric T. Sun、Changyong Hu、Ramesh Jayaraman、Mohammed Khalid Pasha、Kantharaj Ethirajulu、Jeanette M. Wood、Brian W. Dymock

  DOI：10.1021/jm201112g

  日期：2012.1.12

  Herein, we describe the design, synthesis, and SAR of a series of unique small molecule macrocycles that show spectrum selective kinase inhibition of CDKs, JAK2, and FLT3. The most promising leads were assessed in vitro for their inhibition of cancer cell proliferation, solubility, CYP450 inhibition, and microsomal stability. This screening cascade revealed 26h as a preferred compound with target IC50 of 13, 73, and 56 nM for CDK2, JAK2 and FLT3, respectively. Pharmacokinetic (PK) studies of 26h in preclinical species showed good oral exposures. Oral efficacy was observed in colon (HCT-116) and lymphoma (Ramos) xenograft studies, in line with the observed PK/PD correlation. 26h (SB1317/TG02) was progressed into development in 2010 and is currently undergoing phase 1 clinical trials in advanced leukemias and multiple myeloma.