6-Methyl-2-(sulfanylmethyl)pyridine | 70529-45-2

• 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
• 英文名称: 6-Methyl-2-(sulfanylmethyl)pyridine
• 英文别名: 6-Methylpyrid-2-ylmethanethiol；(6-methylpyridin-2-yl)methanethiol
• CAS: 70529-45-2
• 化学式: C₇H₉NS
• 分子量: 139.221
• InChiKey: LKUIJNQQIVNISE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 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：
  13.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-Methyl-2-(sulfanylmethyl)pyridine 在 sodium hydroxide 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 为溶剂， 生成 2-(6-methylpyrid-2-yl)tetrahydrothiophene
  参考文献：
  名称：

  Synthesis and antisecretory and antiulcer activities of derivatives and analogs of 2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide

  摘要：

  New thioamide derivatives of 2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide (29) and related compounds (in which the tetrahydrothiophene ring was replaced by tetrahydrothiopyran, tetrahydrofuran, 1,3-dithiane, or 1,3-oxathiane and where the pyridine ring was replaced by other nitrogen heterocycles) were synthesized and tested for their antisecretory and antiulcer activities. These thioamides were prepared according to one of the following methods: reaction of an isothiocyanate with the carbanion of the corresponding cyclic precursor (for secondary thioamides); reaction of ammonia or an amine with the dithio ester prepared from the same precursor (for primary, secondary, and tertiary thioamides). These thioamides were evaluated by the Shay method to measure their antisecretory activity and by the stress-induced-ulcer method to test their antiulcer activity. Structure-activity relationships are discussed. N-Methyl-2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide (R.P. 40749, 30) exhibited activities that were at least 10 times higher than those reported for cimetidine.

  DOI：

  10.1021/jm00384a004
• 作为产物：
  描述：

  2-(氯甲基)-6-甲基吡啶盐酸盐 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 6-Methyl-2-(sulfanylmethyl)pyridine
  参考文献：
  名称：

  Synthesis and antisecretory and antiulcer activities of derivatives and analogs of 2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide

  摘要：

  New thioamide derivatives of 2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide (29) and related compounds (in which the tetrahydrothiophene ring was replaced by tetrahydrothiopyran, tetrahydrofuran, 1,3-dithiane, or 1,3-oxathiane and where the pyridine ring was replaced by other nitrogen heterocycles) were synthesized and tested for their antisecretory and antiulcer activities. These thioamides were prepared according to one of the following methods: reaction of an isothiocyanate with the carbanion of the corresponding cyclic precursor (for secondary thioamides); reaction of ammonia or an amine with the dithio ester prepared from the same precursor (for primary, secondary, and tertiary thioamides). These thioamides were evaluated by the Shay method to measure their antisecretory activity and by the stress-induced-ulcer method to test their antiulcer activity. Structure-activity relationships are discussed. N-Methyl-2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide (R.P. 40749, 30) exhibited activities that were at least 10 times higher than those reported for cimetidine.

  DOI：

  10.1021/jm00384a004

文献信息

• [EN] AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS<br/>[FR] AMINOPYRROLOTRIAZINES EN TANT QU'INHIBITEURS DE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019147782A1

  公开（公告）日：2019-08-01

  The disclosure relates to compounds of formula I which are useful as kinase modulators including RIPK1 modulation. The disclosure also provides methods of making and using the compounds for example in treatments related to necrosis or inflammation as well as other indications.

  该公开涉及到公式I的化合物，这些化合物可用作激酶调节剂，包括RIPK1调节。该公开还提供了制备和使用这些化合物的方法，例如在涉及坏死或炎症以及其他适应症的治疗中使用。
• Methyl group influence on the formation of CuI complexes with thio-pyridine ligands
  作者：Paula L. Caradoc-Davies、Lyall R. Hanton、Justin M. Hodgkiss、Mark D. Spicer

  DOI：10.1039/b111400j

  日期：2002.4.9

  In order to investigate the effect of methyl group substitution adjacent to a pyridyl N donor, three ligands were synthesised and complexed with CuI in a 1 ∶ 2 ratio. The crystal structures of three CuI complexes were determined. The dimethylated ligand bis(6-methyl-2-pyridylmethyl)sulfide (L1) gave rise to a tetranuclear complex with two Cu2I2 bridges in which the Cu centres were four-coordinate. The asymmetric ligand 2-(6-methylpyridyl)methyl(2-pyridyl)methylsulfide (L2) gave a tetranuclear complex which contained two parallel Cu2I2 bridges. In each Cu2I2 bridge, one Cu centre was three- and the other four-coordinate. In contrast, the ligand bis(2-pyridylmethyl)sulfide (L3), with no Me substitution, gave rise to a one-dimensional coordination polymer with CuI chains. It was found that the differences in the complexes were a result of both the electronic and steric effects arising from the Me substitution of the pyridine donors and that no one effect completely dominated.

  为了研究毗邻吡啶基 N 给体的甲基取代的影响，我们合成了三种配体，并以 1 ∶ 2 的比例与 CuI 复配。测定了三种 CuI 复合物的晶体结构。二甲基配体双（6-甲基-2-吡啶基甲基）硫化物（L1）产生了一个具有两个 Cu2I2 桥的四核配合物，其中的 Cu 中心为四配位。不对称配体 2-(6-甲基吡啶基)甲基(2-吡啶基)硫化物（L2）产生的四核配合物含有两个平行的 桥。在每个 桥中，一个 Cu 中心为三配位，另一个为四配位。相反，配体双（2-吡啶基甲基）硫化物（L3）在没有 Me 取代的情况下，产生了一种带有 CuI 链的一维配位聚合物。研究发现，这些配合物的差异是由吡啶供体的 Me 取代所产生的电子效应和立体效应共同作用的结果，没有哪一种效应完全占主导地位。
• 2-(Pyrid-2-yl)tetrahydrothiophene derivatives
  申请人：Rhone-Poulenc Industries

  公开号：US04272534A1

  公开（公告）日：1981-06-09

  Compounds of the formula: ##STR1## wherein R represents hydrogen or alkyl of 1 through 4 carbon atoms, and R.sub.1 and R.sub.2 represent hydrogen or alkyl of 1 through 15 carbon atoms, or alkyl of 1 through 15 carbon atoms substituted by one substituent selected from (i) hydroxy, (ii) alkylamino in which the alkyl radical is of 1 through 4 carbon atoms, (iii) dialkylamino in which the alkyl radicals are of 1 through 4 carbon atoms, (iv) phenyl, (v) carboxy, and (vi) alkoxycarbonyl in which the alkoxy radical is of 1 through 4 carbon atoms, or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached represent a five- or six-membered heterocyclic radical, are new compounds. They possess pharmacological properties and are particularly useful in the treatment of gastro-intestinal ulcers.

  式子为：##STR1## 其中 R 代表氢或1至4个碳原子的烷基，R.sub.1 和 R.sub.2 代表氢或1至15个碳原子的烷基，或1至15个碳原子的烷基被选自以下一种取代基取代：(i) 羟基，(ii) 烷基胺，其中烷基基团为1至4个碳原子，(iii) 二烷基胺，其中烷基基团为1至4个碳原子，(iv) 苯基，(v) 羧基，以及 (vi) 烷氧羰基，其中烷氧基团为1至4个碳原子，或 R.sub.1 和 R.sub.2 与它们所连接的氮原子共同表示五元或六元杂环基团，这些化合物是新的。它们具有药理学特性，特别适用于治疗胃肠溃疡。
• Formation of a single-stranded silver(i) helical-coordination polymer containing π-stacked planar chiral N4S2 ligands
  作者：Paula L. Caradoc-Davies、Lyall R. Hanton

  DOI：10.1039/b101875m

  日期：——

  In-situ planar chirality was induced in an achiral ligand by intramolecular π-stacking interactions upon complexation with silver(I) and crystallisation, to give a single-stranded helix with a nanoscale pitch which assembled into a three-dimensional network.

  在非手性中诱导原位平面手性 配体通过与配体络合时的分子内α-堆积相互作用 银（I）和结晶，得到单链螺旋 具有纳米级间距，组装成三维 网络。
• Hanton, Lyall R.; Lee, Kitty, Inorganic Chemistry, 1999, vol. 38, # 7, p. 1634 - 1637
  作者：Hanton, Lyall R.、Lee, Kitty

  DOI：——

  日期：——