2-methyl-[1,1'-biphenyl]-4,4'-diamine | 63991-44-6

• 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-methyl-[1,1'-biphenyl]-4,4'-diamine
• 英文别名: 2-methylbiphenyl-4,4'-diamine；2-methyl-benzidine；4.4'-Diamino-2-methyl-diphenyl；2-Methyl-benzidin；4,4'-diamino-2-methylbiphenyl；Methyl benzidine；4-(4-aminophenyl)-3-methylaniline
• CAS: 63991-44-6
• 化学式: C₁₃H₁₄N₂
• 分子量: 198.268
• InChiKey: VMXLZAVIEYWCLQ-UHFFFAOYSA-N

物化性质

• 沸点：
  349.6±27.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-[1,1'-biphenyl]-4,4'-diamine 生成 4.4'-Dioxy-2-methyl-diphenyl
  参考文献：
  名称：

  Jacobson; Nanninga, Chemische Berichte, 1895, vol. 28, p. 2551

  摘要：

  DOI：
• 作为产物：
  描述：

  间碘甲苯 在 盐酸 、 palladium diacetate 、 caesium carbonate 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 3.0h， 生成 2-methyl-[1,1'-biphenyl]-4,4'-diamine
  参考文献：
  名称：

  Regioselective [5,5]-Sigmatropic Rearrangement Reactions of Aryl Hydrazides

  摘要：

  N,N'-Aryl hydrazides with substituents at the ortho or meta positions undergo highly regioselective [5,5]-sigmatropic rearrangement reactions to furnish benzidines in good to excellent isolated yields. The presence of single substituent at either the ortho or meta position provides sufficient bias, effectively suppressing the formation of diphenylene, the major byproduct of the conventional benzidine rearrangement reaction.

  DOI：

  10.1021/ol060451+

文献信息

• Synthesis and properties of linear polyborazoles. Part II. Condensation of B-dichloro-N-tri-(2,6-dimethylphenyl)borazole and aromatic and heterocyclic diamines
  作者：J. M. Turner

  DOI：10.1039/j19660000410

  日期：——

  The linear polymerisation of B-dichloro-N-tri-(2,6-dimethylphenyl)borazole through the aromatic diamines, m- and p-phenylenediamine,p,p′-diaminodiphenylmethane, and benzidine, and the heterocyclic diamines, piperazine and ammeline, has been investigated and the range and degree of plasticity, stability in air, and hydrolytic and thermal stability of the linear polyborazoles formed have been compared

  的线性聚合乙-二氯- ñ三- （2,6-二甲基苯基）硼嗪通过芳族二胺，米和- p苯二胺，P，P'氨基二苯基甲烷，联苯胺，和杂环二胺，哌嗪和氰尿二酰胺进行了研究，并且比较了所形成的线性聚硼唑的可塑性，在空气中的稳定性以及水解和热稳定性的范围和程度，并与它们的结构和聚合度有关。
• [EN] SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1<br/>[FR] PYRIDINES SUBSTITUÉES EN TANT QU'INHIBITEURS DE DNMT1
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017216726A1

  公开（公告）日：2017-12-21

  The invention is directed to substituted pyridine derivatives. Specifically, the invention is directed to compounds according to Formula (Iar): (Iar) wherein Yar, X1ar, X2ar, R1ar, R2ar, R3ar, R4ar and R5ar are as defined herein; or a pharmaceutically acceptable salt or prodrug thereof. The compounds of the invention are selective inhibitors of DNMT1 and can be useful in the treatment of cancer, pre-cancerous syndromes, beta hemoglobinopathy disorders, sickle cell disease, sickle cell anemia, and beta thalassemia, and diseases associated with DNMT1 inhibition. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting DNMT1 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  该发明涉及取代吡啶衍生物。具体而言，该发明涉及符合以下式（Iar）的化合物：（Iar）其中Yar、X1ar、X2ar、R1ar、R2ar、R3ar、R4ar和R5ar如本文所定义；或其药学上可接受的盐或前药。该发明的化合物是DNMT1的选择性抑制剂，可用于治疗癌症、癌前综合征、β血红蛋白病、镰状细胞病、镰状细胞贫血、β地中海贫血以及与DNMT1抑制相关的疾病。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物抑制DNMT1活性和治疗相关疾病的方法。
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2005051923A1

  公开（公告）日：2005-06-09

  A quinazoline derivative of the Formula (I): wherein the substituents are as defined in the text for use in the production of an anti proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm-blooded animal such as man.

  Formula (I)的喹唑啉衍生物：其中取代基如文本中定义的那样，用于生产抗增殖效应，该效应通过在诸如人类等恒温动物中抑制erbB2受体酪氨酸激酶而产生。
• [EN] PYRROLIDINONE DERIVATIVES AS METAP-2 INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLIDINONE UTILES EN TANT QU'INHIBITEURS DE LA METAP -2
  申请人：MERCK PATENT GMBH

  公开号：WO2016020031A1

  公开（公告）日：2016-02-11

  Compounds according to Claim 1, are inhibitors of methionine aminopeptidase and can be employed for the treatment of tumours.

  根据权利要求1，化合物是蛋氨酸氨基肽酶的抑制剂，可用于肿瘤的治疗。
• [EN] QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES<br/>[FR] DERIVES DE QUINAZOLINE UTILISES COMME TYROSINE KINASES DU RECEPTEUR ERBB
  申请人：ASTRAZENECA AB

  公开号：WO2005118572A1

  公开（公告）日：2005-12-15

  The invention concerns quinazoline derivatives of the formula (I), wherein each of R1, R2, R3, R4, R5, R6, R7, X1, Q1, m and n have any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours which are sensitive to inhibition of erbB receptor tyrosine kinases.

  该发明涉及公式(I)的喹唑啉衍生物，其中R1、R2、R3、R4、R5、R6、R7、X1、Q1、m和n中的每个都具有描述中定义的任意含义；它们的制备方法，含有它们的药物组合物以及它们在制造用作抗增殖剂的药物中的用途，用于预防或治疗对erbB受体酪氨酸激酶抑制敏感的肿瘤。