5-(氯甲基)-2-甲基吡啶 | 52426-66-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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: 5-(氯甲基)-2-甲基吡啶
• 中文别名: 2-甲基-5-氯甲基吡啶
• 英文名称: 5-(chloromethyl)-2-methylpyridine
• CAS: 52426-66-1
• 化学式: C₇H₈ClN
• mdl: MFCD11111128
• 分子量: 141.6
• InChiKey: ZDEBRYJZUMDNFA-UHFFFAOYSA-N

物化性质

• 沸点：
  46-48 °C(Press: 0.6 Torr)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  5-(氯甲基)-2-甲基吡啶 在 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 2.0h， 生成 2-(6-Methylpyridin-3-yl)-3-oxobutanenitrile
  参考文献：
  名称：

  Design of 2,5-Dimethyl-3-(6-dimethyl-4-methylpyridin-3-yl)-7-dipropylaminopyrazolo[1,5-a]pyrimidine (NBI 30775/R121919) and Structure−Activity Relationships of a Series of Potent and Orally Active Corticotropin-Releasing Factor Receptor Antagonists

  摘要：

  We have previously shown that 3-phenylpyrazolo[1,5-a]pyrimidines exemplified by 8 were potent antagonists of the human corticotropin-releasing factor-1 receptor. A series of 3-pyridylpyrazolo[1,5-a]pyrimidines 15, 25-30, 34, and 35 containing a weakly basic pyridine ring at the 3-position of the bicyclic nucleus was designed to reduce lipophilicity from the initial leads such as 7. Here, we showed that these 3-pyridyl compounds exhibited potent antagonists at the human CRF1, receptor. Moreover, the hydrophilic and weakly basic pyridine moiety increased the water solubility of some analogues. Compound 26h exhibited good binding affinity at the human CRF1 receptor with a K-i value of 3.5 nM. As a functional antagonist, it dose-dependently inhibited CRF-stimulated cAMP production in cells expressing the CRF1 receptor [IC50 = 50 nM), and CRF-stimulated ACTH release from cultured rat pituitary cells [IC50 = 20 nM). 26h had a log P value of 4.9 and water solubility of greater than 10 mg/mL. Pharmacokinetic studies in rats showed that 26h was orally bioavailable and able to penetrate into the brain. 26h has been demonstrated in vivo efficacy in animal behavioral models that measure anxiolytic activity. These results suggest that analogues from this series were potent CRF1, receptor antagonists with proper physicochemical properties and good pharmacokinetic profiles. 26h was developed into a clinical compound and exhibited efficacy in patients with major depression.

  DOI：

  10.1021/jm040058e
• 作为产物：
  描述：

  6-甲基烟酸甲酯 在 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 5-(氯甲基)-2-甲基吡啶
  参考文献：
  名称：

  通往印za烷的模块化路线

  摘要：

  描述了基于收敛性自由基的氮杂茚满路线，其依赖于各种取代的S-（吡啶甲基）-O-乙基二硫代碳酸酯（黄原酸酯）的退化加成转移至功能性烯烃，然后自由基环化至吡啶环上，所述吡啶环通过用三氟乙酸质子化而活化。在一种情况下，一个富于装饰环庚并[ b ]吡啶，可以迅速地通过允许第一加合物组装Ñ苯基马来经历除了Ñ之前环化-allylphthalimide。

  DOI：

  10.1021/acs.orglett.7b01772

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• 5-Lipoxygenase-Activating Protein Inhibitor
  申请人：SCHAAB Kevin Murray

  公开号：US20090291981A1

  公开（公告）日：2009-11-26

  Described herein is the FLAP inhibitor 3-[3-tert-butylsulfanyl-1-[4-(6-ethoxy-pyridin-3-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of preparing the FLAP inhibitor, or a pharmaceutically acceptable salt thereof, including solvates, and polymorphs thereof. Also described herein are pharmaceutical compositions suitable for administration to a mammal that include the FLAP inhibitor, or a pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating respiratory conditions or diseases, as well as other leukotriene-dependent or leukotriene mediated conditions or diseases.

  描述了一种FLAP抑制剂：3-[3-叔丁基硫基-1-[4-(6-乙氧基-吡啶-3-基)-苄基]-5-(5-甲基-吡啶-2-基甲氧基)-1H-吲哚-2-基]-2,2-二甲基丙酸，或其药用可接受盐。还描述了制备该FLAP抑制剂的方法，或其药用可接受盐，包括水合物和其多晶型。还描述了适合给予哺乳动物的药物组合物，包括FLAP抑制剂，或其药用可接受盐，以及使用此类药物组合物治疗呼吸系统疾病或疾病的方法，以及治疗其他白三烯依赖性或白三烯介导的条件或疾病的方法。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS
  申请人：Kandula Mahesh

  公开号：US20150087670A1

  公开（公告）日：2015-03-26

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of respiratory disorders may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of cough caused by minor throat and bronchial irritation (such as commonly accompanies the flu and common cold), as well as those resulting from inhaled particle irritants, upper respiratory infections, (pseudobulbar affect) in patients with amyotrophic lateral sclerosis and multiple sclerosis, neuropathic pain and pain associated with fibromyalgia.

  本发明涉及公式I的化合物或其药用可接受的盐，以及它们的 polymorphs（多晶型）、solvates（溶剂合物）、enantiomers（对映体）、stereoisomers（立体异构体）和 hydrates（水合物）。包含有效量的公式I化合物的药物组合物，以及用于治疗呼吸系统疾病的方法，可以口服、颊部、直肠、局部、经皮、经粘膜、静脉内、非肠道给药、糖浆或注射等方式制备。此类组合物可用于治疗由轻微喉咙和支气管刺激引起的咳嗽（例如常见于流感和普通感冒时），以及由吸入颗粒刺激物、上呼吸道感染、肌萎缩侧索硬化症和多发症患者的（假性球麻痹）以及神经性疼痛和纤维肌痛相关的疼痛。
• NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：CHO Young Lag

  公开号：US20120264727A1

  公开（公告）日：2012-10-18

  The present invention relates to novel cephalosporin derivatives represented by Chemical Formula 1. Wherein, X, Y, L, R 1 , and R 2 are as same as defined in the description of the invention. The present invention also relates to pharmaceutical antibiotic compositions comprising a novel celphalosporin derivative represented by Chemical Formula 1, a prodrug thereof, a hydrate thereof, a solvate thereof, an isomer thereof, or a pharmaceutically acceptable salt thereof as an effective ingredient. According to the present invention, novel cephalosporin derivatives, a prodrug thereof, a hydrate thereof, a solvate thereof, an isomer thereof, or a pharmaceutically acceptable salt thereof as an effective ingredient for the broad spectrum of antibiotic resistant, low toxicity, particularly in Gram-negative bacteria, which can be useful with strong antimicrobial activity.

  本发明涉及由化学公式1表示的新型头孢菌素衍生物。其中，X、Y、L、R1和R2与发明描述中定义的相同。本发明还涉及包含由化学公式1表示的新型头孢菌素衍生物、前药、水合物、溶剂化物、异构体或药用可接受盐作为有效成分的药物抗生素组合物。根据本发明，新型头孢菌素衍生物、前药、水合物、溶剂化物、异构体或药用可接受盐作为广谱抗生素耐药、低毒性的有效成分，特别是在革兰氏阴性细菌中，可以具有强大的抗菌活性。
• [EN] NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS<br/>[FR] NOUVEAUX COMPOSÉS DE TÉTRAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DE LA TUBERCULOSE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019034729A1

  公开（公告）日：2019-02-21

  The invention relates to a compound of Formula (I) or a pharmaceutically acceptable salt thereof and their use in therapy, for example in the treatment of mycobacterial infections or in the treatment of diseases caused by mycobacterium, such as tuberculosis.

  这项发明涉及到式（I）的化合物或其药用盐以及它们在治疗中的应用，例如在治疗分枝杆菌感染或治疗由分枝杆菌引起的疾病，如结核病。