4-isobutylbenzenesulfonamide | 161767-97-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-isobutylbenzenesulfonamide
• 英文别名: 4-Isobutyl-benzolsulfamid；4-isobutyl-benzenesulfonic acid amide；4-Isobutyl-benzolsulfonsaeure-amid；4-(2-Methylpropyl)benzene-1-sulfonamide；4-(2-methylpropyl)benzenesulfonamide
• CAS: 161767-97-1
• 化学式: C₁₀H₁₅NO₂S
• mdl: MFCD00460438
• 分子量: 213.301
• InChiKey: RMVGDCROLOGLIE-UHFFFAOYSA-N

物化性质

• 熔点：
  84-85 °C
• 沸点：
  347.0±35.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-isobutylbenzenesulfonamide 在 chromium(VI) oxide 、 溶剂黄146 作用下， 反应 5.0h， 以38%的产率得到4-isoutanoylbenzenesulfonamide
  参考文献：
  名称：

  Catalytic Properties of Carbonyl Reductase from Rabbit Kidney for Acetohexamide and Its Analogs

  摘要：

  Analogs submitted by ethyl, n-propyl, n-butyl, and isopropyl groups instead of methyl group adjacent to a ketone group of acetohexamide were synthesized and the structural requirements of carbonyl reductase from rabbit kidney for these analogs were kinetically examined. The hydrophobicities in straight-chain alkyl groups of acetohexamide analogs were found to play an important role in the catalytic activity and substrate-binding capacity of the enzyme. We propose the possibility that a hydrophobic pocket is located in the substrate-binding domain of the enzyme. (C) 1998 Academic Press, Inc.

  DOI：

  10.1006/bioo.1994.1032
• 作为产物：
  描述：

  异丁基苯 在 chlorosulphuric acid 、 氯仿 作用下， 生成 4-isobutylbenzenesulfonamide
  参考文献：
  名称：

  Identification of Organic Compounds. IV. Chlorosulfonic Acid as a Reagent for Identification of Alkylbenzenes

  摘要：

  DOI：

  10.1021/ja01857a055

文献信息

• [EN] 2, 4 - DIAMINOPYRIMIDINES AND THEIR USE FOR INDUCING CARDIOMYOGENESIS<br/>[FR] 2, 4 - DIAMINOPYRIMIDINES ET LEUR UTILISATION DESTINEE A INDUIRE LA CARDIOMYOGENESE
  申请人：NOVARTIS AG

  公开号：WO2005068437A1

  公开（公告）日：2005-07-28

  The present invention provides compounds of formula (I) useful for inducing cardiomyogenesis in mammalian cells, particularly embryonic stem cells, in vitro and in vivo.

  本发明提供了一种公式（I）的化合物，用于诱导哺乳动物细胞，特别是胚胎干细胞，在体外和体内进行心肌发生。
• 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。
• AZA-INDOLYL COMPOUNDS AND METHODS OF USE
  申请人：Goodacre Simon Charles

  公开号：US20080242655A1

  公开（公告）日：2008-10-02

  The invention relates to azaindolyl compounds of Formula I with anti-cancer and/or anti-inflammatory activity and more specifically to azaindolyl compounds which inhibit MEK kinase activity. The invention provides compositions and methods useful for inhibiting abnormal cell growth or treating a hyperproliferative disorder, or treating an inflammatory disease in a mammal. The invention also relates to methods of using the compounds for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions.

  本发明涉及具有抗癌和/或抗炎活性的Formula I的吡唑吲哚类化合物，更具体地涉及抑制MEK激酶活性的吡唑吲哚类化合物。本发明提供了用于抑制异常细胞生长或治疗哺乳动物的增生性疾病或治疗炎症性疾病的组合物和方法。本发明还涉及使用该化合物进行哺乳动物细胞的体外、原位和体内诊断或治疗，或相关病理条件的方法。
• SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS
  申请人：Markwalder Jay A.

  公开号：US20130023514A1

  公开（公告）日：2013-01-24

  The invention provides compounds of Formula (I) and pharmaceutically acceptable salts thereof. The Formula (I) pyrrolotriazines inhibit protein kinase activity thereby making them useful as anticancer agents.

  本发明提供了式(I)化合物及其药学上可接受的盐。式(I)中的吡咯并三嗪抑制蛋白激酶活性，因此可用作抗癌剂。
• MANDELAMIDE HETEROCYCLIC COMPOUNDS
  申请人：Cherney Robert J.

  公开号：US20130045964A1

  公开（公告）日：2013-02-21

  Disclosed are compounds of Formula (I) or stereoisomers, salts, or prodrugs thereof, wherein: Q is, or R 1 is phenyl substituted with zero to 3 substituents; and R 1 , R 2 , R 3 , R 4 , R 5 , and G are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  本发明涉及式（I）的化合物或其立体异构体、盐或前药，其中：Q是，或R1是带有零到3个取代基的苯基；R1、R2、R3、R4、R5和G在此处被定义。还公开了使用这些化合物作为选择性G蛋白偶联受体S1P1的激动剂的方法，以及包含这些化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展中有用，例如自身免疫性疾病和血管疾病。