2-氯-6-甲基吡啶-3-甲酸 | 1060805-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯-6-甲基吡啶-3-甲酸
• 英文名称: 4-chloro-6-methylnicotinic acid
• 英文别名: 4-chloro-6-methylpyridine-3-carboxylic acid
• CAS: 1060805-95-9
• 化学式: C₇H₆ClNO₂
• mdl: MFCD11520850
• 分子量: 171.583
• InChiKey: NPFSHIQNHIGKKL-UHFFFAOYSA-N

物化性质

• 熔点：
  162-164℃
• 沸点：
  312.3±37.0 °C(Predicted)
• 密度：
  1.390

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-氯-6-甲基吡啶-3-甲酸 在 potassium permanganate 作用下， 以 水 为溶剂， 反应 24.0h， 生成 4-chloro-2,5-pyridinedicarboxylic acid
  参考文献：
  名称：

  [EN] PROLYL HYDROXYLASE INHIBITORS
  [FR] INHIBITEURS DE LA PROLYL HYDROXYLASE

  摘要：

  本发明涉及某些公式（I）的2,4-二氧-1,2,3,4-四氢吡啶并[4,3-d]嘧啶-7-羧酰胺衍生物，它们是HIF脯氨酸羟化酶的拮抗剂，可用于治疗受益于抑制该酶的疾病，贫血就是一个例子。

  公开号：

  WO2010059552A1
• 作为产物：
  描述：

  4-羟基-6-甲基烟酸 在 三氯氧磷 作用下， 反应 14.0h， 以56%的产率得到2-氯-6-甲基吡啶-3-甲酸
  参考文献：
  名称：

  Observation of the selective staining of chromosomal DNA in dividing cells using a luminescent terbium(iii) complex

  摘要：

  在血清白蛋白存在下，单阳离子铽或铕(III)复合物与双(1-氮杂黄素)配体的发射强度增强；该镧系金属复合物可染色分裂细胞，从而使有丝分裂染色体可视化。

  DOI：

  10.1039/b924679g

文献信息

• [EN] NRF2 REGULATORS<br/>[FR] RÉGULATEURS DE NRF2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016202253A1

  公开（公告）日：2016-12-22

  Provided are aryl analogs，pharmaceutical compositions containing them and their use as NRF2 regulators.

  提供芳基类似物，含有它们的药物组合物以及它们作为NRF2调节剂的用途。
• Design, Synthesis, and Structure-Activity Relationships of 3,4,5-Trisubstituted 4,5-Dihydro-1,2,4-oxadiazoles as TGR5 Agonists
  作者：Junjie Zhu、Yangliang Ye、Mengmeng Ning、Attila Mándi、Ying Feng、Qingan Zou、Tibor Kurtán、Ying Leng、Jianhua Shen

  DOI：10.1002/cmdc.201300144

  日期：2013.7

  By thorough analysis of diverse structures of published TGR5 agonists, a hypothetical ligand‐based pharmacophore model was built, and a new class of potent TGR5 agonists, based on the novel 3,4,5‐trisubstituted 4,5‐dihydro‐1,2,4‐oxadiazole core, was discovered by rational design. Three distinct synthetic methods for constructing 4,5‐dihydro‐1,2,4‐oxadiazoles and extensive structure–activity relationship

  鉴于其在能量和葡萄糖稳态中的介导作用，G蛋白偶联胆汁酸受体1（TGR5）被认为是治疗2型糖尿病和其他代谢性疾病的潜在靶标。通过对已发表的TGR5激动剂的各种结构进行全面分析，建立了一个假设的基于配体的药效团模型，并基于新型3,4,5-三取代的4,5-二氢-1，2来开发了一类新型的强效TGR5激动剂。 ，4-恶二唑核是通过合理设计发现的。本文报道了三种不同的合成方法来构建4,5-二氢-1,2,4-恶二唑和广泛的结构-活性关系研究。化合物（R）-54 n，其结构是通过单晶X-射线衍射和量子化学固态TDDFT-ECD计算确定，显示出最好的效力，用EC 50为1.4的n值中号朝向hTGR5。它在体外的有利特性值得进一步研究。
• [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。
• Emissive europium complexes that stain the cell walls of healthy plant cells, pollen tubes and roots
  作者：Antony J. Palmer、Susan H. Ford、Stephen J. Butler、Timothy J. Hawkins、Patrick J. Hussey、Robert Pal、James W. Walton、David Parker

  DOI：10.1039/c3ra45426f

  日期：——

  The cell-staining behaviour of a set of five emissive europium complexes has been studied in Nicotiana tabacum BY-2 cells and pollen tubes, Nicotiana benthamiana plant leaves and in the root hairs of the wild-type plant Arabidopsis thaliana (Columbia). The cell walls were stained selectively, notably in the tobacco BY-2 cells, by the complex [EuL1] that contains one azathiaxanthone chromophore. Internalisation only occurred in cells that had been deliberately permeabilised or were dying. No uptake was observed within healthy plant leaves. In root hairs, the cell wall was strongly stained as well as the mitochondria, revealed by time-lapsed microscopy that showed the tumbling of the mitochondria in the living tissue, confirmed by co-localisation studies. In pollen tubes, the cell wall was also stained; rapid bursting of the pollen tip occurred following incubation with [Eu.L1], triggered by excitation with 405 nm laser light. Such behaviour is consistent with local perturbation of cell wall permeability and integrity, associated with the reactivity of the chromophore triplet excited state.

  一组五种发光铕复合物在烟草BY-2细胞、花粉管、烟草班旦叶片以及野生型植物阿拉伯芥（哥伦比亚种）的根毛中的细胞染色特性进行了研究。复合物[EuL1]含有一个氮杂噻吩色素，能够选择性地染色细胞壁，特别是在烟草BY-2细胞中。仅在那些经过故意透化或正在死亡的细胞中观察到了内部化。在健康植物叶片内没有观察到摄取现象。在根毛中，细胞壁和线粒体都被强烈染色，时间延迟显微镜显示线粒体在活组织中翻滚，这一现象通过共定位研究得到了确认。在花粉管中，细胞壁也被染色；在用[Eu.L1]处理后，经过405 nm激光光照，花粉尖端快速破裂。这种行为与细胞壁通透性和完整性的局部扰动一致，这与色素三重态激发态的反应性有关。
• PIPERIDINE DERIVATIVE OR SALT THEREOF
  申请人：Hachiya Shunichiro

  公开号：US20100029687A1

  公开（公告）日：2010-02-04

  [Problem] To provide a compound which can be used for treating diseases in which a calcium sensing receptor (CaSR) participates, particularly hyperparathyroidism. [Means for Resolution] It was found that a novel piperidine derivative which is characterized in that one of a 3-position and a 4-position is substituted with an aminomethyl group substituted with an arylalkyl group or the like and the other position is substituted with aryl, heteroaryl or the like, or a salt thereof, has an excellent CaSR agonistic regulatory action, and also has excellent selectivity with a CYP2D6 inhibitory action having a possibility of causing drug interaction. Based on the above, this novel piperidine derivative is useful as a therapeutic agent for diseases in which CaSR participates (hyperparathyroidism, renal osteodystrophy, hypercalcemia, and the like).

  【问题】提供一种化合物，可用于治疗钙感受受体（CaSR）参与的疾病，特别是甲状旁腺功能亢进症。【解决方法】发现一种新的哌啶衍生物，其特征在于3位和4位中的一个位置被取代为含有芳基烷基等基团的氨甲基基团，另一个位置被取代为芳基、杂环芳基等，或其盐，具有出色的CaSR激动调节作用，并且具有出色的选择性，具有可能引起药物相互作用的CYP2D6抑制作用。基于以上发现，这种新的哌啶衍生物可用作治疗CaSR参与的疾病（甲状旁腺功能亢进症、肾性骨营养不良、高钙血症等）的治疗剂。