4-甲酰基-N,N-二甲基苯磺酰胺 | 54049-92-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲酰基-N,N-二甲基苯磺酰胺
• 英文名称: 4-formyl-N,N-dimethylbenzenesulfonamide
• 英文别名: 4-formyl-N,N-dimethylbenzene-1-sulfonamide
• CAS: 54049-92-2
• 化学式: C₉H₁₁NO₃S
• 分子量: 213.257
• InChiKey: OENABLBTFNNIDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-甲酰基-N,N-二甲基苯磺酰胺 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 2.0h， 生成 {4-[3-(1,3-dioxolan-2-yl)propyl]phenylsulfonyl}(dimethyl)amine
  参考文献：
  名称：

  Samarium(II)-Promoted Radical Spirocyclization onto an Aromatic Ring

  摘要：

  Samarium(II)-mediated spirocyclization onto an aromatic ring was achieved by the reaction of methyl 4-(4-oxoalkyl)benzoates with SmI2 in the presence of i-PrOH and HMPA, yielding methyl 1-alkyl-1-hydroxyspiro[4.5]dec-6-ene-8-carboxylates in moderate to high yields. Utilizing this chemistry, spiro[3.5] and -[5.5] systems, and sterically congested spiro[4.5] systems, were easily synthesized. For the successful conversion, appropriate activation of the aromatic ring has proven to be extremely important: while an ester or amide functionality on the aromatic ring can promote the spirocyclization, a sulfonamide substituent causes ortho cyclization.

  DOI：

  10.1021/jo034767w
• 作为产物：
  描述：

  4-氰基苯磺酰氯 在 甲酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.58h， 生成 4-甲酰基-N,N-二甲基苯磺酰胺
  参考文献：
  名称：

  [EN] BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF
  [FR] BIOSONDES POUR LYSYL OXYDASES ET LEURS UTILISATIONS

  摘要：

  本发明涉及能够结合特定胺氧化酶的新型生物探针。这些生物探针在检测和确定样本中特定胺氧化酶的浓度的方法中是有用的，同时也可用于定量评估特定胺氧化酶的抑制方法。

  公开号：

  WO2021155439A1

文献信息

• Dihydroquinone and dihydronaphthridine inhibitors of JNK
  申请人：Abbot Sarah C.

  公开号：US20080287458A1

  公开（公告）日：2008-11-20

  Compounds of formula I are effective modulators of JNK: wherein X is CR 11 or N; Y is —C(O)R 3 , 5-membered heteroaryl, or 5-membered heterocyclyl; Z is phenyl, cycloalkyl, heterocyclyl or heteroaryl, and is substituted with R 1 and R 2 ; R 1 and R 2 are each independently H, halo, CN, lower alkyl, or —Y 1 —Y 2 —Y 3 —R 8 , or R 1 and R 2 together form —O(CH 2 ) n O—, where n is 1 or 2; Y 1 is —O—, —C(O)—, —C(O)O—, —C(O)NR 9 —, —NR 9 C(O)—, —S—, —SO 2 —, or a bond; Y 2 is cycloalkylene, heterocycloalkylene, lower alkylene or a bond; Y 3 is —O—, —C(O)—, —C(O)O—, —C(O)NR 9 —, —NR 9 C(O)—, —SO 2 —, or a bond; R 8 is H, lower alkyl, lower alkoxy, cycloalkyl, heterocycloalkyl, or —NR 9 R 10 , wherein R 8 other than H is optionally substituted with lower alkyl, halo, —CF 3 , or —OH; R 9 and R 10 are each independently H or lower alkyl; R 3 is OH, lower alkyl, lower alkoxy, (lower alkoxy)-lower alkoxy, or —NR 9 R 10 ; R 4 is lower alkyl, phenyl, heterocyclyl, cycloalkyl, heterocycloalkyl, or heteroaryl, and is optionally substituted with lower alkyl, hydroxy, lower alkoxy, halo, nitro, amino, cyano, or halo-lower alkyl; R 5 and R 6 are each independently H, halo, cyano, lower alkyl, —CF 3 , lower alkoxy, —OCHF 2 , —NO 2 , or —NR 9 R 10 ; R 7 is H, F, Cl, methyl, or OH; R 11 is H, lower alkyl, lower cycloalkyl, or phenyl; or a pharmaceutically acceptable salt thereof.

  式I的化合物是JNK的有效调节剂： 其中 X为CR11或N； Y为—C(O)R3，5-成员杂芳基，或5-成员杂环烷基； Z为苯基，环烷基，杂环烷基或杂芳基，并且被R1和R2取代； R1和R2各自独立地为H，卤素，CN，较低烷基，或—Y1—Y2—Y3—R8，或R1和R2一起形成—O(CH2)nO—，其中n为1或2； Y1为—O—，—C(O)—，—C(O)O—，—C(O)NR9—，—NR9C(O)—，—S—，—SO2—，或键； Y2为环烷亚烷基，杂环烷亚烷基，较低烷基亚烷基或键； Y3为—O—，—C(O)—，—C(O)O—，—C(O)NR9—，—NR9C(O)—，—SO2—，或键； R8为H，较低烷基，较低烷氧基，环烷基，杂环烷基，或—NR9R10，其中R8除H外可选择地被较低烷基，卤素，—CF3，或—OH取代； R9和R10各自独立地为H或较低烷基； R3为OH，较低烷基，较低烷氧基，(较低烷氧基)-较低烷氧基，或—NR9R10； R4为较低烷基，苯基，杂环烷基，环烷基，杂环烷基，或杂芳基，并且可选择地被较低烷基，羟基，较低烷氧基，卤素，硝基，氨基，氰基，或卤素较低烷基取代； R5和R6各自独立地为H，卤素，氰基，较低烷基，—CF3，较低烷氧基，—OCHF2，—NO2，或—NR9R10； R7为H，F，Cl，甲基，或OH； R11为H，较低烷基，较低环烷基，或苯基； 或其药用可接受盐。
• [EN] DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS<br/>[FR] DIAZÉPANES, ANTAGONISTES DU RÉCEPTEUR H3 DE L'HISTAMINE
  申请人：EVOTEC NEUROSCIENCES GMBH

  公开号：WO2009095394A1

  公开（公告）日：2009-08-06

  The invention relates to compounds of formula (I) wherein R1 to R8 and X1, X2 have the meaning as cited in the description and the claims. Said compounds are useful as Histamine H3 receptor antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  该发明涉及式(I)的化合物，其中R1至R8和X1、X2的含义如描述和权利要求中所述。所述化合物可用作组胺H3受体拮抗剂。该发明还涉及制药组合物，制备此类化合物以及作为药物的生产和使用。
• Discovery of novel thieno[2,3-d]pyrimidin-4-yl hydrazone-based inhibitors of Cyclin D1-CDK4: Synthesis, biological evaluation and structure–activity relationships. Part 2
  作者：Takao Horiuchi、Motoko Nagata、Mayumi Kitagawa、Kouichi Akahane、Kouichi Uoto

  DOI：10.1016/j.bmc.2009.10.039

  日期：2009.12

  The design, synthesis and evaluation of novel thieno[2,3-d]pyrimidin-4-yl hydrazone analogues as cyclin-dependent kinase 4 (CDK4) inhibitor are described. Focusing on the optimization of the heteroaryl moiety at the hydrazone with substituted phenyl groups, 4-[(methylamino)methyl]benzaldehyde (22) and 5-isoindolinecarbaldehyde (24) (6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazone derivatives have

  描述，设计和合成新型噻吩并[2,3 - d ]嘧啶-4-基类似物作为细胞周期蛋白依赖性激酶4（CDK4）抑制剂。重点研究the上带有取代苯基，4-[（（甲基氨基）甲基]苯甲醛（22）和5-异二氢吲哚甲醛（24）（6-叔丁基硫代[2,3- d ]嘧啶-已经鉴定出4-基）hydr衍生物。在本文中，讨论了我们合成化合物的效价，选择性和结构活性关系。
• [EN] VOLTAGE-GATED SODIUM CHANNEL BLOCKERS<br/>[FR] BLOQUEURS DES CANAUX SODIQUES VOLTAGE-DÉPENDANTS
  申请人：GLAXO GROUP LTD

  公开号：WO2013006596A1

  公开（公告）日：2013-01-10

  In general, the present invention relates to uses of voltage-gated sodium channel blocker compounds,, which include corresponding precursors, intermediates, monomers and dimers, corresponding pharmaceutical compositions, compound preparation and treatment methods for respiratory and respiratory tract diseases. In particular, the present invention also relates to methods and uses for treatment of respiratory or respiratory tract diseases, which comprises administering to a subject in need thereof an effective amount of a compound of the present invention.

  一般而言，本发明涉及使用电压门控钠通道阻滞剂化合物，包括相应的前体、中间体、单体和二聚体，相应的药物组合物，化合物制备和治疗方法，用于呼吸和呼吸道疾病。具体而言，本发明还涉及用于治疗呼吸或呼吸道疾病的方法和用途，包括向需要的受试者施用本发明化合物的有效量。
• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014135422A1

  公开（公告）日：2014-09-12

  The present invention discloses compounds of Formula (I): wherein the variables in Formula I are defined as described herein. Also disclosed are pharmaceutical compositions containing such compounds and methods for using the compounds of Formula I in the prevention or treatment of HCV infection.

  本发明揭示了化合物的结构式（I）：其中式中的变量如本文所述。还揭示了含有这种化合物的药物组合物，以及使用式（I）化合物预防或治疗HCV感染的方法。