3-(N,N-dimethylcarbamoyl)-4-methylpyridine | 55314-18-6

• 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: 3-(N,N-dimethylcarbamoyl)-4-methylpyridine
• 英文别名: N,N,4-Trimethylnicotinamid；4,N,N-trimethyl-nicotinamide；4,N,N-trimethyl-nicotinic amide；N,N,4-trimethylnicotinamide；N,N,4-trimethylpyridine-3-carboxamide
• CAS: 55314-18-6
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: RGEOAIVGOZIUEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(N,N-dimethylcarbamoyl)-4-methylpyridine 、 氯化苄 以 N,N-二甲基甲酰胺-d7 、 乙腈 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Hydride Reduction of NAD(P)⁺ Model Compounds with a Ru(II)–Hydrido Complex

  摘要：

  In order to better understand the regioselective hydride transfer of metal hydrido complexes to NAD(P)(+) model compounds, reactions of [Ru(tpy)(bpy)H](+) (Ru-H: tpy = 2,2':6 '',2 ''-terpyridine, bpy = 2,2'-bipyridine) with various substituent NAD(P)(+) model compounds were investigated in detail. All of the NAD(P)(+) model compounds accepted hydride from Ru-H, yielding 1:1 adducts, where the dihydro form(s) of the model compounds coordinated with the carbamoyl group to the Ru(II) center of [Ru(tpy)(bpy)](2+), with very different reaction rates. Some reactions produced the adduct with only the 1,4-dihydro structure, whereas others produced a mixture of two adducts, with a 1,4- or 1,2-dihydro structure. In particular, temperature-dependent adduct formation kinetics studies provided important information on the transition state(s) of the hydride transfer reactions and factors for determining the regioselectivity. Most adducts were cleaved to the corresponding free dihydro product(s) with the same distribution of the regioisomers to the adduct(s).

  DOI：

  10.1021/acs.organomet.5b00713
• 作为产物：
  描述：

  4-甲基烟酰胺 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以23%的产率得到3-(N,N-dimethylcarbamoyl)-4-methylpyridine
  参考文献：
  名称：

  Hydride Reduction of NAD(P)⁺ Model Compounds with a Ru(II)–Hydrido Complex

  摘要：

  In order to better understand the regioselective hydride transfer of metal hydrido complexes to NAD(P)(+) model compounds, reactions of [Ru(tpy)(bpy)H](+) (Ru-H: tpy = 2,2':6 '',2 ''-terpyridine, bpy = 2,2'-bipyridine) with various substituent NAD(P)(+) model compounds were investigated in detail. All of the NAD(P)(+) model compounds accepted hydride from Ru-H, yielding 1:1 adducts, where the dihydro form(s) of the model compounds coordinated with the carbamoyl group to the Ru(II) center of [Ru(tpy)(bpy)](2+), with very different reaction rates. Some reactions produced the adduct with only the 1,4-dihydro structure, whereas others produced a mixture of two adducts, with a 1,4- or 1,2-dihydro structure. In particular, temperature-dependent adduct formation kinetics studies provided important information on the transition state(s) of the hydride transfer reactions and factors for determining the regioselectivity. Most adducts were cleaved to the corresponding free dihydro product(s) with the same distribution of the regioisomers to the adduct(s).

  DOI：

  10.1021/acs.organomet.5b00713

文献信息

• [EN] METHODS AND COMPOUNDS FOR TREATING DISORDERS<br/>[FR] PROCÉDÉS ET COMPOSÉS POUR TRAITER DES TROUBLES
  申请人：FOGHORN THERAPEUTICS INC

  公开号：WO2019152440A1

  公开（公告）日：2019-08-08

  The present invention relates to methods and compositions for the treatment of BAF-related disorders such as cancers and viral infections.

  本发明涉及用于治疗与BAF相关的疾病，如癌症和病毒感染的方法和组合物。
• [EN] HINDERED DISULFIDE DRUG CONJUGATES<br/>[FR] CONJUGUÉS MÉDICAMENTEUX À PONT DISULFURE ENCOMBRÉ
  申请人：GENENTECH INC

  公开号：WO2017064675A1

  公开（公告）日：2017-04-20

  The invention relates generally to disulfide drug conjugates wherein a linker comprising a sulfur-bearing carbon atom substituted with at least one hydrocarbyl or substituted hydrocarbyl is conjugated by a disulfide bond to a cysteine sulfur atom of a targeting carrier, and wherein the linker is further conjugated to a drug moiety. The invention further relates to activated linker-drug conjugates suitable for conjugation to a targeting carrier by a disulfide bond. The invention further relates to methods for preparing hindered disulfide drug conjugates.

  该发明一般涉及二硫键药物偶联物，其中含有至少一个被至少一个碳氢化合物或取代碳氢化合物所取代的含硫碳原子的连接剂通过二硫键与靶向载体的半胱氨酸硫原子偶联，并且连接剂进一步与药物部分偶联。该发明进一步涉及适合通过二硫键与靶向载体偶联的活化连接剂-药物偶联物。该发明还进一步涉及制备受阻二硫键药物偶联物的方法。
• MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF
  申请人：Hans Jeremy

  公开号：US20130109656A1

  公开（公告）日：2013-05-02

  This invention relates to inhibitors of mitotic kinesins, particularly KSP, and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders.

  本发明涉及有丝分裂动力蛋白酶抑制剂，特别是KSP抑制剂，以及制备这些抑制剂的方法。本发明还提供了包括本发明抑制剂的药物组合物，并提供了利用这些抑制剂和药物组合物在治疗和预防各种疾病方面的方法。
• MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF
  申请人：Array BioPharma Inc.

  公开号：US20140018399A1

  公开（公告）日：2014-01-16

  This invention relates to inhibitors of mitotic kinesins, particularly KSP, and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders.

  本发明涉及有丝分裂动力蛋白酶抑制剂，尤其是KSP的抑制剂，以及制备这些抑制剂的方法。本发明还提供了包含本发明抑制剂的药物组合物，以及利用这些抑制剂和药物组合物在治疗和预防各种疾病方面的方法。
• Hindered disulfide drug conjugates
  申请人：Genentech, Inc.

  公开号：US10729738B2

  公开（公告）日：2020-08-04

  The invention relates generally to disulfide drug conjugates wherein a linker comprising a sulfur-bearing carbon atom substituted with at least one hydrocarbyl or substituted hydrocarbyl is conjugated by a disulfide bond to a cysteine sulfur atom of a targeting carrier, and wherein the linker is further conjugated to a drug moiety. The invention further relates to activated linker-drug conjugates suitable for conjugation to a targeting carrier by a disulfide bond. The invention further relates to methods for preparing hindered disulfide drug conjugates.

  本发明一般涉及二硫化物药物共轭物，其中由至少一个烃基或取代烃基取代的含硫碳原子组成的连接体通过二硫键与靶向载体的半胱氨酸硫原子共轭，并且连接体进一步与药物分子共轭。 本发明进一步涉及适合通过二硫键与靶向载体共轭的活化连接体-药物共轭物。 本发明进一步涉及制备受阻二硫化物药物共轭物的方法。

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