摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

4-(1H-吡唑-1-基)苯磺酰胺 | 51891-85-1

中文名称
4-(1H-吡唑-1-基)苯磺酰胺
中文别名
——
英文名称
4-(1H-pyrazol-1-yl)benzenesulfonamide
英文别名
4-pyrazol-1-ylbenzenesulfonamide
4-(1H-吡唑-1-基)苯磺酰胺化学式
CAS
51891-85-1
化学式
C9H9N3O2S
mdl
——
分子量
223.255
InChiKey
UJLPVGLFJFFLCR-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:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    86.4
  • 氢给体数:
    1
  • 氢受体数:
    4

安全信息

  • 海关编码:
    2935009090

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

反应信息

  • 作为产物:
    描述:
    1-苯基吡唑氯磺酸ammonium hydroxide氯化亚砜 作用下, 以 丙酮 为溶剂, 反应 6.0h, 生成 4-(1H-吡唑-1-基)苯磺酰胺
    参考文献:
    名称:
    Primary mono- and bis-sulfonamides obtained via regiospecific sulfochlorination of N-arylpyrazoles: inhibition profile against a panel of human carbonic anhydrases
    摘要:
    A diverse set of mono- and bis-sulfonamide was obtained via a direct, chemoselective sulfochlorination of readily available yet hitherto unexplored N-arylpyrazole template. Biochemical profiling of compounds thus obtained against a panel of human carbonic anhydrases (hCA I, hCA II, hCA IV and hCA VII) revealed a number of leads that are promising from the isoform selectivity prospective and exhibit potent inhibition profile (from nanomolar to micromolar range). The observed SAR trends have been rationalized by in silico docking of selected compounds into the active site of all four isoforms. The results reported in this paper clearly attest to the power of direct sulfochlorination as the means to create carbonic anhydrase focused sets in order to identify isoform selective inhibitors of closely related enzymes.
    DOI:
    10.1080/14756366.2017.1344236
点击查看最新优质反应信息

文献信息

  • [EN] SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY<br/>[FR] SULFONAMIDES ET COMPOSITIONS ASSOCIÉES POUR LE TRAITEMENT D'ÉTATS PATHOLOGIQUES ASSOCIÉS À UNE ACTIVITÉ DE NLRP
    申请人:IFM TRE INC
    公开号:WO2019079119A1
    公开(公告)日:2019-04-25
    In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured: wherein the variables shown in Formula AA can be as defined anywhere herein. Compounds AA are modulators of NLRP1 and/or NLRP3
    在一个方面,公式AA的化合物或其药用可接受的盐被描述:其中在公式AA中显示的变量可以如本文中的任何地方所定义。化合物AA是NLRP1和/或NLRP3的调节剂
  • BRIDGED CARBAMATE MACROLIDES
    申请人:Kim Heejin
    公开号:US20080027012A1
    公开(公告)日:2008-01-31
    The present invention discloses compounds of formulae (I) and (II) or pharmaceutically acceptable salts, esters, or prodrugs thereof: which exhibit antibacterial properties. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject in need of antibiotic treatment. The invention also relates to methods of treating a bacterial infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The invention further includes process by which to make the compounds of the present invention.
    本发明公开了式(I)和(II)的化合物或其药学上可接受的盐、酯或前药:这些化合物具有抗菌性能。本发明还涉及含有上述化合物的药物组合物,用于治疗需要抗生素治疗的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的细菌感染的方法。该发明还包括制备本发明化合物的方法。
  • Cannabinoid Receptor Modulators
    申请人:Amengual Remi Alain
    公开号:US20080200527A1
    公开(公告)日:2008-08-21
    Compounds of formula (I), are cannabinoid CB1 receptors, useful, inter alia in the treatment of obesity: wherein A 1 is hydrogen, —COOH, or tetrazolyl, and A 2 is hydrogen, —COOH, tetrazolyl, —CN, —CF 3 , —COR 6 , —SO 2 R 6 , —OR 7 , —NR 7 R 8 , —NHCOR 6 , and —NR 7 SO 2 R 8 provided that one of A 1 and A 2 is either —COOH or tetrazolyl; p is 0 or 1 and A 3 is phenyl or cycloalkyl, either of which is optionally substituted with R 4 and/or R 5 ; q is 0 or 1; R 1 is a bond, or —(CH 2 ) a B 1 (CH 2 ) b — wherein a and b are independently 0, 1, 2 or 3 provided that a+b is not greater than 4, and B 1 is —CO—, —O—, —S—, —SO—, —SO 2 —, —CH 2 —, —CHOH— or —NR 7 —; R 2 is a bond, —CH 2 ) a B 1 (CH 2 ) b — or —[(CH 2 ) a B 1 (CH 2 ) b ] n -A 4 -[(CH 2 ) c B 2 (CH 2 ) d ] m — wherein a, b, and B 1 are as defined for R 1 ; B 2 is as defined for B 1 , c and d are independently 0, 1, 2 or 3; with the proviso that a+b+c+d is not greater than 6, n and m are independently 0 or 1 and A 4 is a monocarbocyclic or monoheterocyclic ring, having 3 to 8 ring atoms, optionally substituted with one or more of —F, —Cl, —Br, —CN, —CF 3 , C 1 -C 4 alkyl, cycloalkyl, —OR 9 , oxo or —NR 7 R 8 ; R 3 is hydrogen, C 1 -C 4 alkyl, cycloalkyl, —CF 3 , —OR 9 , —NR 7 R 8 , —(CH 2 ) s COR 6 , —(CH 2 ) s SO 2 R 6 , —(CH 2 ) s NR 7 COR 6 , —(CH 2 ) s NR 7 COOR 8 , —(CH 2 ) s NR 7 SO 2 R 6 , wherein s is 1, 2, 3 or 4; R 4 and R 5 independently —R 9 , —CN, —F, —Cl, —Br, —OR 9 , —NR 7 R 8 , —NR 7 COR 6 , —NR 7 SO 2 R 6 , —COR 6 , —SR 9 , —SOR 9 , —SO 2 R 6 , (C 1 -C 4 alkyl)OR 9 , —(C 1 -C 4 alkyl)NR 7 R 8 , —(C 1 -C 4 alkyl)NR 7 COR 6 , C 1 -C 4 alkyl)NR 7 COOR 8 , —(C 1 -C 4 alkyl)NR 7 SO 2 R 6 , —(C 1 -C 4 alkyl)COR 6 , —(C 1 -C 4 alkyl)SO 2 R 6 , —NR 7 COOR 8 , or [N—(C 1 -C 4 alkyl)]-tetrazolyl; R 6 is C 1 -C 4 alkyl, cycloalkyl, —CF 3 or —NR 7 R 8 ; R 7 and R 8 are independently hydrogen, C 1 -C 4 alkyl or cycloalkyl; and R 9 is hydrogen, C 1 -C 4 alkyl, cycloalkyl, fully or partially fluorinated C 1 -C 4 alkyl.
    公式(I)的化合物是大麻素CB1受体,可用于治疗肥胖症等疾病:其中A1是氢,-COOH或四唑基,而A2是氢,-COOH,四唑基,-CN,-CF3,-COR6,-SO2R6,-OR7,-NR7R8,-NHCOR6和-NR7SO2R8,前提是A1和A2中的一个是-COOH或四唑基;p为0或1,A3为苯基或环烷基,其中任意一个都可以用R4和/或R5取代;q为0或1;R1是键,或-(CH2)aB1(CH2)b-,其中a和b独立地为0、1、2或3,前提是a+b不大于4,B1是-CO-,-O-,-S-,-SO-,-SO2-,-CH2-,-CHOH-或-NR7-;R2是键,-(CH2)aB1(CH2)b-或-[(CH2)aB1(CH2)b]n-A4-[(CH2)cB2(CH2)d]m-,其中a、b和B1如R1所定义;B2如B1定义,c和d独立地为0、1、2或3;前提是a+b+c+d不大于6,n和m独立地为0或1,A4是具有3到8个环原子的单环芳烃或单环杂环,可选地取代一个或多个-F、-Cl、-Br、-CN、-CF3、C1-C4烷基、环烷基、-OR9、氧代或-NR7R8;R3是氢、C1-C4烷基、环烷基、-CF3、-OR9、-NR7R8、-(CH2)sCOR6、-(CH2)sSO2R6、-(CH2)sNR7COR6、-(CH2)sNR7COOR8、-(CH2)sNR7SO2R6,其中s为1、2、3或4;R4和R5独立地为-R9、-CN、-F、-Cl、-Br、-OR9、-NR7R8、-NR7COR6、-NR7SO2R6、-COR6、-SR9、-SOR9、-SO2R6、(C1-C4烷基)OR9、-(C1-C4烷基)NR7R8、-(C1-C4烷基)NR7COR6、C1-C4烷基)NR7COOR8、-(C1-C4烷基)NR7SO2R6、-(C1-C4烷基)COR6、-(C1-C4烷基)SO2R6、-NR7COOR8或[N-(C1-C4烷基)]-四唑基;R6是C1-C4烷基、环烷基、-CF3或-NR7R8;R7和R8独立地为氢、C1-C4烷基或环烷基;R9是氢、C1-C4烷基、环烷基、全氟或部分氟化的C1-C4烷基。
  • Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof
    申请人:ENANTA PHARMACEUTICALS, INC.
    公开号:US11040998B2
    公开(公告)日:2021-06-22
    The present invention provides compounds represented by Formula I, or pharmaceutically acceptable salts, stereoisomers, solvates, hydrates or combination thereof, The invention also provides pharmaceutical compositions comprising these compounds and methods of using this compounds for treating FXR-mediated or TGR5-mediated diseases or conditions.
    本发明提供了式 I 所代表的化合物或其药学上可接受的盐、立体异构体、溶液剂、水合物或其组合、 本发明还提供了包含这些化合物的药物组合物以及使用这些化合物治疗 FXR 介导或 TGR5 介导的疾病或病症的方法。
  • THERAPEUTIC COMPOSITION FOR ARTHRITIS
    申请人:Takeda Chemical Industries, Ltd.
    公开号:EP0830133A1
    公开(公告)日:1998-03-25
查看更多

同类化合物

伊莫拉明 (5aS,6R,9S,9aR)-5a,6,7,8,9,9a-六氢-6,11,11-三甲基-2-(2,3,4,5,6-五氟苯基)-6,9-甲基-4H-[1,2,4]三唑[3,4-c][1,4]苯并恶嗪四氟硼酸酯 (5-氨基-1,3,4-噻二唑-2-基)甲醇 齐墩果-2,12-二烯[2,3-d]异恶唑-28-酸 黄曲霉毒素H1 高效液相卡套柱 非昔硝唑 非布索坦杂质Z19 非布索坦杂质T 非布索坦杂质K 非布索坦杂质E 非布索坦杂质67 非布索坦杂质65 非布索坦杂质64 非布索坦杂质61 非布索坦代谢物67M-4 非布索坦代谢物67M-2 非布索坦代谢物 67M-1 非布索坦-D9 非布索坦 非唑拉明 雷西纳德杂质H 雷西纳德 阿西司特 阿莫奈韦 阿米苯唑 阿米特罗13C2,15N2 阿瑞匹坦杂质 阿格列扎 阿扎司特 阿尔吡登 阿塔鲁伦中间体 阿培利司N-1 阿哌沙班杂质26 阿哌沙班杂质15 阿可替尼 阿作莫兰 阿佐塞米 镁(2+)(Z)-4'-羟基-3'-甲氧基肉桂酸酯 锌1,2-二甲基咪唑二氯化物 铵2-(4-氯苯基)苯并恶唑-5-丙酸盐 铬酸钠[-氯-3-[(5-二氢-3-甲基-5-氧代-1-苯基-1H-吡唑-4-基)偶氮]-2-羟基苯磺酸基][4-[(3,5-二氯-2-羟基苯 铁(2+)乙二酸酯-3-甲氧基苯胺(1:1:2) 钠5-苯基-4,5-二氢吡唑-1-羧酸酯 钠3-[2-(2-壬基-4,5-二氢-1H-咪唑-1-基)乙氧基]丙酸酯 钠3-(2H-苯并三唑-2-基)-5-仲-丁基-4-羟基苯磺酸酯 钠(2R,4aR,6R,7R,7aS)-6-(2-溴-9-氧代-6-苯基-4,9-二氢-3H-咪唑并[1,2-a]嘌呤-3-基)-7-羟基四氢-4H-呋喃并[3,2-D][1,3,2]二氧杂环己膦烷e-2-硫醇2-氧化物 野麦枯 野燕枯 醋甲唑胺