2-Oxo-propane-1-sulfonic acid methylamide | 97289-61-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-Oxo-propane-1-sulfonic acid methylamide
• 英文别名: N-methyl-2-oxopropane-1-sulfonamide
• CAS: 97289-61-7
• 化学式: C₄H₉NO₃S
• 分子量: 151.186
• InChiKey: WKGJYIXRQSXMFB-UHFFFAOYSA-N

物化性质

• 沸点：
  251.7±42.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Oxo-propane-1-sulfonic acid methylamide 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以51%的产率得到C-(2,5-Dimethyl-1,1-dioxo-1,2-dihydro-1λ⁶-[1,2]thiazin-3-yl)-N-methyl-methanesulfonamide
  参考文献：
  名称：

  Synthesis and reactivity of N-alkyl-2-oxoalkanesulfonamides

  摘要：

  A series of N-alkyl-2-oxoalkanesulfonamides have been synthesized by reacting silyl enol ethers with N-alkyl-sulfamoyl chlorides. Their reactivity towards electrophiles was investigated in order to explore the regio-and stereoselectivity of the process. 2-Oxoalkanesulfonamides were used to prepare 5-(methylsulfamoyl)-1,4-dihydropyridines derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00093-3
• 作为产物：
  描述：

  2-(三甲基硅氧基)丙烯 、 甲基氨基磺酰氯 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以28%的产率得到2-Oxo-propane-1-sulfonic acid methylamide
  参考文献：
  名称：

  [EN] HEPATITIS B ANTIVIRAL AGENTS
  [FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B

  摘要：

  本发明公开了化合物的结构式（I），或其药学上可接受的盐、酯或前药：这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HBV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。

  公开号：

  WO2017011552A1

文献信息

• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B
  申请人：ENANTA PHARM INC

  公开号：WO2017011552A1

  公开（公告）日：2017-01-19

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式（I），或其药学上可接受的盐、酯或前药：这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HBV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。
• Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents
  申请人：INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES) DE ROUEN

  公开号：US09376387B2

  公开（公告）日：2016-06-28

  A compound of formula (I) in which the dotted lines indicate the presence of at least one double bond; n=0 to 4; R3 and R4 are H, or when n=1, R3 and R4 can also form together a double bond between the carbon atoms, and m=0, 1 or 2, Z is CH or N or Z is C and —CHR3— is ═CH— linked by the double bond to cyclopentanone; or −(−)m- is absent, and Z is NH, >N-alkyl, >N-phenyl, >N-benzyl or >N heteroaryl; R8 is alkyl, aryl or heteroaryl which can be optionally substituted; EWG represents an electron withdrawing group selected from the group comprising COOR, COSR, CONRR′, CN, COR, CF3, SOR, SO2R, SONRR′, SO2NRR′, NO2, halogen, heteroaryl; and the pharmaceutical salts and stereisomers thereof. The compounds of formula (I) are potent in the treatment of neurodegenerative diseases such as Alzheimer's disease.

  公式（I）的化合物，其中点线表示至少存在一个双键；n = 0至4；当n = 1时，R3和R4为H，或者R3和R4也可以形成碳原子之间的双键；m = 0，1或2；Z为CH或N，或者Z为C，且-CHR3-通过双键与环戊酮相连；或者-（-）m-不存在，而Z为NH，> N-烷基，> N-苯基，> N-苄基或> N杂环基；R8为烷基，芳基或杂环基，可以选择性地被取代；EWG代表从COOR，COSR，CONRR'，CN，COR，CF3，SOR，SO2R，SONRR'，SO2NRR'，NO2，卤素，杂环中选择的电子吸引基；以及其药物盐和立体异构体。公式（I）的化合物在治疗神经退行性疾病，如阿尔茨海默病方面具有强效作用。
• OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS
  申请人：INSA (INSTITUT NATIONAL DES SCIENNCES APPLIQUÉES) DE ROUEN

  公开号：US20150353493A1

  公开（公告）日：2015-12-10

  A compound of formula (I) in which the dotted lines indicate the presence of at least one double bond; n=0 to 4; R 3 and R 4 are H, or when n=1, R 3 and R 4 can also form together a double bond between the carbon atoms, and m=0, 1 or 2, Z is CH or N or Z is C and —CHR 3 — is ═CH— linked by the double bond to cyclopentanone; or −(−) m - is absent, and Z is NH, >N-alkyl, >N-phenyl, >N-benzyl or >N heteroaryl; R 8 is alkyl, aryl or heteroaryl which can be optionally substituted; EWG represents an electron withdrawing group selected from the group comprising COOR, COSR, CONRR′, CN, COR, CF 3 , SOR, SO 2 R, SONRR′, SO 2 NRR′, NO 2 , halogen, heteroaryl; and the pharmaceutical salts and stereisomers thereof. The compounds of formula (I) are potent in the treatment of neurodegenerative diseases such as Alzheimer's disease.

  式(I)的化合物中，虚线表示存在至少一个双键；n = 0至4；R3和R4为H，或当n = 1时，R3和R4也可以共同形成碳原子之间的双键，m = 0、1或2，Z为CH或N，或者Z为C，-CHR3-与环戊酮通过双键连接，或-(-)m-不存在，Z为NH，>N-烷基，>N-苯基，>N-苯甲基或> N杂环芳基；R8为烷基、芳基或杂环芳基，可以选择性地被取代；EWG代表从COOR、COSR、CONRR'、CN、COR、CF3、SOR、SO2R、SONRR'、SO2NRR'、NO2、卤素、杂环芳基中选择的电子吸引基；以及其药物盐和立体异构体。式(I)的化合物在治疗神经退行性疾病，如阿尔茨海默病方面具有很强的疗效。
• Improved method for the synthesis of N-methyl-2-oxoalkanesulfonamides.
  作者：Juan A. Vega、Andrés Molina、Ramón Alajarín、Juan J. Vaquero、José L.García Navío、Julio Alvarez-Builla

  DOI：10.1016/s0040-4039(00)92534-6

  日期：1992.6

  A series of N-methyl-2-oxoalkanesulfonamides was prepared by reaction between silyl enol ethers and N-methylsulfonylimine. In all cases yields were comparatively higher to those obtained by a previously described procedure
• Synthesis and reactivity of N-alkyl-2-oxoalkanesulfonamides
  作者：Juan A. Vega、Ramón Alajarín、Juan J. Vaquero、Julio Alvarez-Builla

  DOI：10.1016/s0040-4020(98)00093-3

  日期：1998.4

  A series of N-alkyl-2-oxoalkanesulfonamides have been synthesized by reacting silyl enol ethers with N-alkyl-sulfamoyl chlorides. Their reactivity towards electrophiles was investigated in order to explore the regio-and stereoselectivity of the process. 2-Oxoalkanesulfonamides were used to prepare 5-(methylsulfamoyl)-1,4-dihydropyridines derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.