4-甲氧基-2,5-二甲基吡啶 | 155919-10-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-甲氧基-2,5-二甲基吡啶
• 英文名称: 2,5-dimethyl-4-methoxypyridine
• 英文别名: 4-methoxy-2,5-dimethylpyridine
• CAS: 155919-10-1
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: TXUDOBBFRZQGEI-UHFFFAOYSA-N

物化性质

• 沸点：
  203.4±35.0 °C(Predicted)
• 密度：
  0.985±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-甲氧基-2,5-二甲基吡啶 在 氢氧化钾 、 potassium permanganate 、 硫酸 、 氢溴酸 、 硝酸 、 sodium carbonate 、 间氯过氧苯甲酸 作用下， 以 氯仿 、 水 为溶剂， 反应 72.0h， 生成 5-甲基-3-硝基-4-氧代-1,4-二氢-2-吡啶羧酸
  参考文献：
  名称：

  Toward the Design of an RNA:DNA Hybrid Binding Agent

  摘要：

  One characteristic function of the retroviruses, which is generally not found in normal eukaryotic cells, is production of a long RNA:DNA hybrid in the viral replication phase. If agents are designed which bind only to the RNA:DNA hybrid, but neither to DNA nor to RNA, such agents will be able to inhibit specifically the RNase H activity of retroviral reverse transcriptase, and therefore will suppress viral replication. Actinomycin D binds to double-stranded DNA, but not to RNA, because steric hindrance between the 2-amino group of the phenoxazinone ring and the 2'-hydroxyl group of RNA prevents intercalation of the antibiotic. However, if the C8-H in the phenoxazinone ring is replaced by an aromatic nitrogen N8, a strong hydrogen bond acceptor, this analog (N8-actinomycin D) might be able to bind intercalatively to an RNA:DNA hybrid by forming an additional hydrogen bond between N8 and the 2'-hydroxyl group of guanosine ribose. This hypothesis has been tested by a molecular mechanics calculation using a model structure of the complex between N8-actinomycin D and a small RNA:DNA hybrid, r(GC):d(GC). The results of the molecular mechanics calculation suggest that N8-actinomycin D can intercalatively bind to the RNA: DNA hybrid by making an additional intracomplex hydrogen bond. This hydrogen bonding capability of N8 has been confirmed in the crystal structure of the chromophore of N8-actinomycin D. Thus, N8-actinomycin D has been synthesized by coupling the pyridine and benzene fragments obtained independently. A binding study indicates that both actinomycin D and N8-actinomycin D bind intercalatively not only to DNA:DNA double strands but also to RNA:DNA hybrids. Although the overall binding capacity of N8-actinomycin D is reduced substantially in comparison with that of actinomycin D itself, N8-actinomycin D tends to bind relatively more favorably than actinomycin D to the RNA:DNA hybrids. Thus, this initial attempt at designing an RNA:DNA hybrid binding agent appears to be successful. However, it is necessary to modify the agent further to increase its RNA:DNA hybrid binding character and to decrease the DNA:DNA binding character, in order to make a useful RNA:DNA hybrid binding agent.

  DOI：

  10.1021/ja00085a002
• 作为产物：
  描述：

  2,5-二甲基吡啶 1-氧化物 在 硫酸 、 硝酸 、 乙酰氯 、 三氯化磷 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 9.0h， 生成 4-甲氧基-2,5-二甲基吡啶
  参考文献：
  名称：

  Toward the Design of an RNA:DNA Hybrid Binding Agent

  摘要：

  One characteristic function of the retroviruses, which is generally not found in normal eukaryotic cells, is production of a long RNA:DNA hybrid in the viral replication phase. If agents are designed which bind only to the RNA:DNA hybrid, but neither to DNA nor to RNA, such agents will be able to inhibit specifically the RNase H activity of retroviral reverse transcriptase, and therefore will suppress viral replication. Actinomycin D binds to double-stranded DNA, but not to RNA, because steric hindrance between the 2-amino group of the phenoxazinone ring and the 2'-hydroxyl group of RNA prevents intercalation of the antibiotic. However, if the C8-H in the phenoxazinone ring is replaced by an aromatic nitrogen N8, a strong hydrogen bond acceptor, this analog (N8-actinomycin D) might be able to bind intercalatively to an RNA:DNA hybrid by forming an additional hydrogen bond between N8 and the 2'-hydroxyl group of guanosine ribose. This hypothesis has been tested by a molecular mechanics calculation using a model structure of the complex between N8-actinomycin D and a small RNA:DNA hybrid, r(GC):d(GC). The results of the molecular mechanics calculation suggest that N8-actinomycin D can intercalatively bind to the RNA: DNA hybrid by making an additional intracomplex hydrogen bond. This hydrogen bonding capability of N8 has been confirmed in the crystal structure of the chromophore of N8-actinomycin D. Thus, N8-actinomycin D has been synthesized by coupling the pyridine and benzene fragments obtained independently. A binding study indicates that both actinomycin D and N8-actinomycin D bind intercalatively not only to DNA:DNA double strands but also to RNA:DNA hybrids. Although the overall binding capacity of N8-actinomycin D is reduced substantially in comparison with that of actinomycin D itself, N8-actinomycin D tends to bind relatively more favorably than actinomycin D to the RNA:DNA hybrids. Thus, this initial attempt at designing an RNA:DNA hybrid binding agent appears to be successful. However, it is necessary to modify the agent further to increase its RNA:DNA hybrid binding character and to decrease the DNA:DNA binding character, in order to make a useful RNA:DNA hybrid binding agent.

  DOI：

  10.1021/ja00085a002

文献信息

• PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS
  申请人：Bolli Martin

  公开号：US20110212998A1

  公开（公告）日：2011-09-01

  The invention relates to novel pyridine derivatives of formula (D, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula (I) wherein A represents and the other substituents are as defined in the claims.

  本发明涉及式（D）的新吡啶衍生物、它们的制备方法以及它们作为药物活性化合物的用途。所述化合物特别是作为免疫调节剂发挥作用。式（I）中，A代表，其他取代基如权利要求中所定义。
• [EN] PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE PYRIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009024905A1

  公开（公告）日：2009-02-26

  The invention relates to novel pyridine derivatives of formula (I), their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula (I) wherein A represents and the other substituants are as defined in the claims.

  该发明涉及公式（I）的新型吡啶衍生物，其制备以及作为药用活性化合物的用途。所述化合物特别作为免疫调节剂。公式（I）中A代表，其他取代基如索引中定义。
• CHEMICAL COMPOUNDS
  申请人：AstraZeneca AB

  公开号：US20170305909A1

  公开（公告）日：2017-10-26

  The specification relates to compounds of Formula (I): and pharmaceutically acceptable salts thereof. The specification also relates to processes and intermediates used for their preparation, pharmaceutical compositions containing them and their use in the treatment of cell proliferative disorders.

  该规范涉及到Formula (I)的化合物及其药用盐。该规范还涉及用于它们制备的过程和中间体，含有它们的药物组合物以及它们在治疗细胞增殖性疾病中的应用。
• PYRAZOLE DERIVATIVE
  申请人：TEIJIN PHARMA LIMITED

  公开号：US20160039784A1

  公开（公告）日：2016-02-11

  Provided are a compound expressed by formula (I) or a pharmacologically permissible salt thereof, as well as a drug or drug composition that contains this compound as an active ingredient, having a xanthine oxidase inhibiting effect that is very useful for treating or preventing diseases that are contributed to by xanthine oxidase, such as gout, hyperuricemia, tumor lysis syndrome, urinary tract stones, hypertension, dyslipidemia, diabetes, cardiovascular disease such as heart failure and arterial sclerosis, renal disease such as diabetic near opacity and the like, respiratory disease such as chronic obstructive pulmonary disease and the like, autoimmune diseases such as inflammatory bowel disease, and the like. [In the formula, A, X, Y, Z, R, and R 1 have the meaning set forth in claim 1 ].

  提供的是由式(I)表示的化合物或其药理学上可接受的盐，以及包含该化合物作为活性成分的药物或药物组合物，具有非常有用的黄嘌呤氧化酶抑制作用，用于治疗或预防由黄嘌呤氧化酶引起的疾病，如痛风、高尿酸血症、肿瘤溶解综合征、泌尿道结石、高血压、血脂异常、糖尿病、心血管疾病如心力衰竭和动脉硬化、肾脏疾病如糖尿病性近视和其他呼吸道疾病如慢性阻塞性肺疾病等自身免疫疾病如炎症性肠病等。【在公式中，A、X、Y、Z、R和R1具有权利要求1中规定的含义】。
• [EN] COMPOUNDS CONTAINING CARBON-CARBON LINKER AS GPR120 AGONISTS<br/>[FR] COMPOSÉS CONTENANT UNE SÉQUENCE DE LIAISON CARBONE-CARBONE EN TANT QU'AGONISTES GPR120
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2016125182A1

  公开（公告）日：2016-08-11

  The present invention relates to compound of Formula (I) containing carbon-carbon linker, a stereoisomer, a tautomer, a pharmaceutically acceptable salt, a pharmaceutically acceptable solvate, a prodrug, a polymorph, N -oxide, S-oxide, or a carboxylic acid isostere thereof; processes for their preparation; pharmaceutical compositions comprising said compounds; and their use for the treatment of the diseases or disorders mediated by GPR120 receptor.

  本发明涉及具有含有碳-碳连接物的化合物(I)的立体异构体、互变异构体、药学上可接受的盐、药学上可接受的溶剂化合物、前药、多型、N-氧化物、S-氧化物，或其羧酸异构体；其制备方法；包含所述化合物的药物组合物；以及其用于治疗由GPR120受体介导的疾病或紊乱的用途。