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4-nitrophenethylsulfonamide | 90007-78-6

中文名称
——
中文别名
——
英文名称
4-nitrophenethylsulfonamide
英文别名
4-Nitro-phenethylsulfonsaeure-amid;2-(4-nitro-phenyl)-ethanesulfonic acid amide;2-(4-Nitro-phenyl)-aethansulfonsaeure-amid;2-(4-Nitrophenyl)ethane-1-sulfonamide;2-(4-nitrophenyl)ethanesulfonamide
4-nitrophenethylsulfonamide化学式
CAS
90007-78-6
化学式
C8H10N2O4S
mdl
MFCD12190408
分子量
230.244
InChiKey
UFKZHNIFLPRVPB-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.8
  • 重原子数:
    15
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    114
  • 氢给体数:
    1
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-nitrophenethylsulfonamide 在 palladium on activated charcoal sodium hydroxide氢气 作用下, 以 丙酮 为溶剂, 生成 N'-(4-Amino-phenethylsulfonyl)-N-butyl-harnstoff
    参考文献:
    名称:
    一些新的磺酰脲的合成。
    摘要:
    DOI:
    10.1021/jm00341a007
  • 作为产物:
    描述:
    4-硝基苯乙烷磺酰氯 作用下, 以 二氯甲烷 为溶剂, 反应 2.0h, 生成 4-nitrophenethylsulfonamide
    参考文献:
    名称:
    5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE
    摘要:
    本发明针对当前对选择性和强效蛋白酪氨酸激酶抑制剂的需求,提供对c-fms激酶的强效抑制剂。本发明涉及以下式I的新化合物: 或其盐、对映体、互变异构体、结晶、多晶型、无定形、溶剂化物、水合物、酯、前药或代谢物形式,其中A、Y、Z、R 101 和R 200 在说明书中有描述。
    公开号:
    US20080114007A1
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文献信息

  • Synthesis and Evaluation of Potent and Selective β<sub>3</sub> Adrenergic Receptor Agonists Containing Acylsulfonamide, Sulfonylsulfonamide, and Sulfonylurea Carboxylic Acid Isosteres
    作者:David E. Uehling、Kelly H. Donaldson、David N. Deaton、Clifton E. Hyman、Elizabeth E. Sugg、David G. Barrett、Robert G. Hughes、Barbara Reitter、Kim K. Adkison、Mary E. Lancaster、Frank Lee、Robert Hart、Mark A. Paulik、Bryan W. Sherman、Timothy True、Conrad Cowan
    DOI:10.1021/jm0101500
    日期:2002.1.1
    Starting from phenethanolamine aniline leads 3a and 3b, we have identified a series of functionally potent and selective beta(3) adrenergic receptor (AR) agonists containing acylsulfonamide, sulfonylsulfonamide, or sulfonylurea groups within the aniline phenethanolamine series. In beta(3) beta(2), and beta(1) AR cAMP functional assays, 3a and other right-hand side (RHS) carboxylate analogues were found to be full agonists that were modestly selective against beta(1) or beta(2) ARs, while analogues lacking RHS acid functionality were active at beta(3) AR but not selective. Replacement of the carboxylate with acylthiazole and acylmethylsulfone gave potent, but only modestly selective, compounds. Increasing the size of the RHS sulfonamide substituent with phenyl or p-toluene afforded compounds with good potency and functional selectivity (beta(3) AR pEC(50) greater than 8; beta(1) and beta(2) AR selectivity greater than 40- and 500-fold, respectively). Our SAR studies suggest that the potency and selectivity profile of the best analogues reported here is a result of both the steric bulk and acidity of the RHS sulfonamide NH group. Although all of the analogues had a pharmacokinetic half-life of less than 2 h, acylsulfonamides 43 and 44 did show moderately low clearance in dogs. These two compounds were further evaluated by thermographic imaging in mice and were found to produce a robust thermogenic response via oral administration.
  • The Preparation of Some Amino Sulfonamides
    作者:Ellis Miller、James M. Sprague、L. W. Kissinger、Lane F. McBurney
    DOI:10.1021/ja01865a053
    日期:1940.8
  • Pyrido[2,3-<i>d</i>]pyrimidin-5-ones: A Novel Class of Antiinflammatory Macrophage Colony-Stimulating Factor-1 Receptor Inhibitors
    作者:Hui Huang、Daniel A. Hutta、James M. Rinker、Huaping Hu、William H. Parsons、Carsten Schubert、Renee L. DesJarlais、Carl S. Crysler、Margery A. Chaikin、Robert R. Donatelli、Yanmin Chen、Deping Cheng、Zhao Zhou、Edward Yurkow、Carl L. Manthey、Mark R. Player
    DOI:10.1021/jm801406h
    日期:2009.2.26
    A series of pyrido[2,3-d]pyrimidin-5-ones has been synthesized and evaluated as inhibitors of the kinase domain of macrophage colony-stimulating factor-1 receptor (FMS). FMS inhibitors may be useful in treating rheumatoid arthritis and other chronic inflammatory diseases. Structure-based optimization of the lead amide analogue 10 led to hydroxamate analogue 37, which possessed excellent potency and an improved pharmacokinetic profile. During the chronic phase of streptococcal cell wall-induced arthritis in rats, compound 37 (10, 3, and 1 mg/kg) was highly effective at reversing established joint swelling. In an adjuvant-induced arthritis model in rats, 37 prevented joint swelling partially at 10 mg/kg. In this model, osteoclastogenesis and bone erosion were prevented by low doses (1 or 0.33 mg/kg) that had minimal impact on inflammation. These data underscore the potential of FMS inhibitors to prevent erosions and reduce symptoms in rheumatoid arthritis.
  • [EN] ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS<br/>[FR] DERIVES D'ARYLETHANOLAMINE ET LEUR UTILISATION EN TANT QU'AGONISTES DES BETA-RECEPTEURS ADRENERGIQUES ATYPIQUES
    申请人:GLAXO GROUP LIMITED
    公开号:WO1997021666A1
    公开(公告)日:1997-06-19
    (EN) The present invention relates to phenethanolamine derivatives of formula (I), wherein R1 represents an aryl group optionally substituted by one or more substituents selected from halogen, hydroxy, C1-6alkoxy, C1-6alkyl, nitro, cyano, hydroxymethyl and trifluoromethyl; R2 represents hydrogen or C1-6alkyl; R3 represents a group (A) where the aromatic ring may be optionally substituted by up to four substituents selected from C1-6alkyl, halogen, trifluoromethyl, and C1-6alkoxy; R4 represents hydrogen, or C1-6alkyl; R5 represents CO2R8, C1-6alkylCO2R16, CONR9R10, NHCONR11R12, SO2NHR13, P(O)(OR14)2, SO3H, C1-6alkylSO3H, NHSO2R15, NHCOR17 or tetrazol-5-yl; R6 and R7 independently represent hydrogen, C1-6alkyl, trifluoromethyl, CN, OH, CO2R18, CH2CO2R19, or R6 and R7 form a 5-6 membered cycloalkyl ring; R8 represents hydrogen, or C1-6alkyl; R9 represents hydrogen, C1-6alkyl, or C1-6alkylOR20; R10, R11, R12, R14-R16, and R18-R20 each independently represent hydrogen, or C1-6alkyl; R13 represents C1-6alkyl or trifluoromethyl; R17 represents C1-6alkyl or trifluoromethyl; with the proviso that when R6 and R7 are both hydrogen, R8 is other than hydrogen; and physiologically acceptable derivatives thereof; to processes for their preparation; and their use in the treatment of conditions susceptible of amelioration by an atypical beta-adrenoceptor agonist.(FR) La présente invention se rapporte à des dérivés de phénéthanolamine de la formule (I), ainsi qu'à des dérivés de ceux-ci, acceptables sur le plan physiologique. Dans cette formule, R1 représente un groupe aryle éventuellement substitué par un ou plusieurs substituants choisis parmi halogène, hydroxy, alcoxy C1-6, alkyle C1-6, nitro, cyano, hydroxyméthyle et trifluorométhyle; R2 représente hydrogène ou alkyle C1-6; R3 représente un groupe (A) où le noyau aromatique peut être éventuellement substitué par au maximum quatre substituants choisis parmi alkyle C1-6, halogène, trifluorométhyle et alcoxy C1-6, R4 représente hydrogène ou alkyle C1-6, R5 représente CO2R8, alkyle C1-6CO2R16, CONR9R10, NHCONR11R12, SO2NHR13, P(O)(OR14)2, SO3H, alkyle C1-6SO3H, NHSO2R15, NHCOR17 ou tétrazol-5-yle, R6 et R7 représentent indépendamment hydrogène, alkyle C1-6, trifluorométhyle, CN, OH, CO2R18, CH2CO2R19, ou bien R6 et R7 forment un noyau cycloalkyle possédant 5 à 6 chaînons, R8 représente hydrogène ou alkyle C1-6, R9 représente hydrogène, alkyle C1-6 ou alkyle C1-6OR20, R10, R11, R12, R14-R16 et R18-R20 représentent chacun indépendamment hydrogène ou alkyle C1-6, R13 représente alkyle C1-6 ou trifluorométhyle, R17 représente alkyle C1-6 ou trifluorométhyle, à la condition que lorsque R6 et R7 représentent tous deux hydrogène, R8 ne représente pas hydrogène. On décrit également des procédés de préparation de ces dérivés ainsi que leur utilisation dans le traitement d'états pathologiques susceptibles d'être améliorés par un agoniste des bêta-récepteurs adrénergiques atypiques.
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