2-氯-N-乙基-N-甲基乙酰胺 | 2746-07-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氯-N-乙基-N-甲基乙酰胺
• 英文名称: N-ethyl-N-methyl-2-chloroacetamide
• 英文别名: Chloressigsaeure-(ethyl-methyl-amid)；2-chloro-N-methylethylacetamide；2-chloro-N-ethyl-N-methylacetamide
• CAS: 2746-07-8
• 化学式: C₅H₁₀ClNO
• mdl: MFCD10686581
• 分子量: 135.594
• InChiKey: YBYWLBWGIPIYIC-UHFFFAOYSA-N

物化性质

• 保留指数：
  1217

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  2-氯-N-乙基-N-甲基乙酰胺 在 potassium iodide 作用下， 以66%的产率得到N-Ethyl-2-iodo-N-methyl-acetamide
  参考文献：
  名称：

  羰基取代基对 N-乙基-N-甲基酰胺旋转屏障的影响

  摘要：

  13 α-烷基-和α-卤代N-theyl-N-甲基酰胺围绕C(O)N键旋转的障碍是通过1H NMR光谱在聚结温度下确定的。吉布斯自由能 (ΔG°) 和吉布斯活化能 (ΔG‡) 值与 α-羰基的 Charton 电子和空间参数的关系图可以得出以下结论：异构偏好和围绕 C(O) 旋转的障碍N-乙基-N-甲基酰胺的N键主要取决于α-羰基的空间效应。

  DOI：

  10.1002/mrc.1260310507
• 作为产物：
  描述：

  monochloroacetic acid anhydride 、 N-乙基甲基胺 生成 2-氯-N-乙基-N-甲基乙酰胺
  参考文献：
  名称：

  Svetkin,Yu.V., Journal of general chemistry of the USSR, 1965, vol. 35, # 5, p. 837 - 839

  摘要：

  DOI：

文献信息

• Short-acting sedative hypnotic agents for anesthesia and sedation
  申请人：——

  公开号：US20030153554A1

  公开（公告）日：2003-08-14

  The invention provides compounds compositions and methods useful for inducing or maintaining general anesthesia or sedation in mammals.

  这项发明提供了一种用于在哺乳动物中诱导或维持全身麻醉或镇静的化合物组合物和方法。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243533A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GIcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这种化合物的药物组合物，制备这种化合物和组合物的方法，以及利用这种化合物和组合物预防和治疗抑制OGA有益的疾病，如tau病变，特别是阿尔茨海默病或进行性上核性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩侧索硬化或颞叶前叶痴呆症。
• [EN] PRODRUGS OF SULFASALAZINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE DISEASE<br/>[FR] PROMÉDICAMENTS DE SULFASALAZINE, COMPOSITIONS PHARMACEUTIQUES DE CEUX-CI ET LEUR UTILISATION DANS LE TRAITEMENT D'UNE MALADIE AUTO-IMMUNE
  申请人：TRULY TRANSLATIONAL SWEDEN AB

  公开号：WO2018162625A1

  公开（公告）日：2018-09-13

  The present invention relates to new compounds of formula (I) and pharmaceutically acceptable salts and/or co-crystals thereof. The present invention also relates to pharmaceutical compositions comprising these compounds and to their use as medicaments for the prevention, prophylaxis of progression, and/or treatment of a disease in which modulation of extracellular (chemotactic) cytokines and/or TNF-alpha and or nuclear factor kappa B (NFKB) and/or inflammatory cells is beneficial, such as autoimmune diseases, like rheumatoid arthritis, oligoarthritis, spondyloarthropathy, psoriatic arthritis, psoriasis and inflammatory bowel diseases, such as Crohns' disease and ulcerative colitis.

  本发明涉及公式（I）的新化合物及其药学上可接受的盐和/或共晶体。本发明还涉及包含这些化合物的制药组合物以及它们作为药物的使用，用于预防，预防进展和/或治疗一种疾病，其中调节细胞外（趋化性）细胞因子和/或TNF-alpha和/或核因子kappa B（NFKB）和/或炎性细胞具有益处，例如自身免疫性疾病，如类风湿性关节炎，寡关节炎，脊柱关节病，银屑病性关节炎，牛皮癣和炎性肠病，如克罗恩病和溃疡性结肠炎。
• Selective Estrogen Receptor Modulator
  申请人：Hamaoka Shinichi

  公开号：US20120004315A1

  公开（公告）日：2012-01-05

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供一种由以下式（I）表示的化合物; [其中T表示单键，可能具有取代基的C1-C4烷基和类似物；式（I-1）表示单键或双键；A表示单键，可能具有取代基的双价5-至14-成员杂环基和类似物；Y表示单键和类似物；Z表示亚甲基基团和类似物；环G表示苯基团和类似物，可能与5-至6-成员环缩合并可能具有杂原子；Ra和Rb相同或不同，表示氢原子和类似物；W表示单键和类似物；R'表示1到4个独立的氢原子和类似物；R''表示1到4个独立的氢原子和类似物]或其盐或水合物。
• Selective estrogen receptor modulator
  申请人：Hamaoka Shinichi

  公开号：US20060116364A1

  公开（公告）日：2006-06-01

  The present invention provides a compound represented by the following formula [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof

  本发明提供了一种化合物，其表示为以下式子[其中T表示单键，C1-C4的烷基，可能带有取代基等；式(I-1)表示单键或双键；A表示单键，二价的5-至14-成员杂环基团，可能带有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基团等，可与5-至6-成员环缩合并且可能具有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R'表示1至4个独立的氢原子等；R"表示1至4个独立的氢原子等]或其盐，或其水合物。