2-氨基-4-甲基苯磺酰胺 | 609-63-2

• 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: 2-氨基-4-甲基苯磺酰胺
• 英文名称: 2-amino-4-methylbenzenesulfonamide
• 英文别名: 2-amino-4-methyl-benzenesulfonamide；2-Amino-4-methyl-benzol-sulfonsaeure-(1)-amid；3-Amino-toluol-sulfonsaeure-(4)-amid；2-Amino-4-methylbenzolsulfonamid；5-Methyl-2-sulfamoyl-anilin；3-Aminotoluol-4-sulfonamid
• CAS: 609-63-2
• 化学式: C₇H₁₀N₂O₂S
• 分子量: 186.235
• InChiKey: NECSZWFYSDDJSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  94.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  2-氨基-4-甲基苯磺酰胺 在 硫酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙腈 为溶剂， 反应 1.0h， 生成 3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-6-methyl-2H-benzo[1,2,4]thiadiazine 1,1-dioxide
  参考文献：
  名称：

  1,2,4-Benzothiadiazine derivatives as α1 and 5-HT1A receptor ligands

  摘要：

  A series of new 1,2,4-benzothiadiazine derivatives with an arylpiperazine mojety linked at position 3 of the heterocyclic ring were synthesized and assessed for their pharmacological profiles at alpha(1)-adrenoceptor subtypes (alpha(1A), alpha(1B) and alpha(1D)) by functional experiments and by in vitro binding studies at human cloned 5-HT1A receptor. Compound I was identified as a novel (alpha(1D) antagonist (pK(b)alpha(1D) = 7.59; alpha(1D)/alpha(1A) > 389; alpha(1D)/alpha(1B) = 135) with high selectivity over 5-HT1A receptor (5-HT1A/alpha(1D) < 0.01), while compound 6, a 3,4-dihydro-derivative, was characterized as a novel 5-HT1A receptor ligand, highly selective over alpha(1D)-adrenoceptor subtype (pK(i)5-HT1A = 8.04; 5-HT1A/alpha(1D) = 1096). Further pharmacological studies demonstrated that 6 is a partial agonist at 5-HT1A receptor (E-max = 23, pD(2) = 6.92). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.004
• 作为产物：
  描述：

  4-甲基-2-硝基-苯磺酰氯 在 ammonium hydroxide 、 铁粉 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 生成 2-氨基-4-甲基苯磺酰胺
  参考文献：
  名称：

  Hypoglycaemic Agents. Part III

  摘要：

  描述了托布唑胺的新变体。

  DOI：

  10.1111/j.2042-7158.1962.tb11132.x

文献信息

• Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof
  申请人：SUNSHINE LAKE PHARMA CO., LTD

  公开号：US20150079028A1

  公开（公告）日：2015-03-19

  Provided herein is a compound having Formula (I), or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, which can be used for treating HCV infection or a HCV disorder. Also provided herein are pharmaceutical compositions comprising the compounds disclosed herein, which can be used for treating HCV infection or a HCV disorder.

  提供了一种具有公式(I)的化合物，或其立体异构体、几何异构体、互变异构体、N-氧化物、水合物、溶剂化物、代谢物、药用盐或前药，可用于治疗HCV感染或HCV疾病。还提供了包含本处所述化合物的药物组合物，可用于治疗HCV感染或HCV疾病。
• Bis-(Sulfonylamino) Derivatives in Therapy 205
  申请人：Bylund Johan

  公开号：US20090163586A1

  公开（公告）日：2009-06-25

  The invention provides compounds of formula (I) wherein R 1 , R 3 , L 1 , L 2 , G 1 , G 2 , A and m are as defined in the specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are inhibitors of microsomal prostaglandin E synthase-1.

  该发明提供了式（I）的化合物 其中R 1 ，R 3 ，L 1 ，L 2 ，G 1 ，G 2 ，A和m如规范中定义的那样，以及其光学异构体，消旋体和互变异构体，以及其药学上可接受的盐；以及它们的制备方法，含有它们的药物组合物以及它们在治疗中的应用。这些化合物是微粒体前列腺素E合成酶-1的抑制剂。
• 1,2,4-benzothiadiazine derivatives, their preparation and use
  申请人：Novo Nordisk AIS

  公开号：US06242443B1

  公开（公告）日：2001-06-05

  1,2,4-Benzothiadiazine derivatives represented by formula wherein D, R1, R2, R3, R4, R5, R12, R13, R14, R15 are defined in the description, composition thereof and methods for preparing the compounds are described. The compounds are useful in the treatment of diseases of the central nervous system, the cardiovascular system, the pulmonary system, the gastrointestinal system and the endocrinological system.

  1,2,4-苯并噻二嗪衍生物的化学式如下： 其中D，R1，R2，R3，R4，R5，R12，R13，R14，R15在描述中有定义，描述了其组成以及制备该化合物的方法。 这些化合物在治疗中枢神经系统、心血管系统、呼吸系统、消化系统和内分泌系统疾病方面具有用途。
• Novel compounds and their use as positive AMPA receptor modulators
  申请人：Neurosearch A/S.

  公开号：US20040043987A1

  公开（公告）日：2004-03-04

  The invention provides novel compounds represented by the general formula 5 compound represented by the formula: 1 wherein the bond represented by the broken line may be a single, a double bond or absent; and if the bond is absent, then the nitrogen is substituted with a hydrogen and R 2 ; X represents SO 2 or C═O or CH 2 ; Y represents —CH(R 4 )—, —N(R 4 )— or —N(R 4 )—CH 2 —, O; and the meaning of R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and R 8 are as defined in the application The compounds are useful as positive modulators of the AMPA-receptor.

  该发明提供了一种新型化合物，其通式5的化合物如下所示：其中由虚线表示的键可以是单键、双键或不存在；如果键不存在，则氮原子用氢和R2取代；X代表SO2或C═O或CH2；Y代表—CH(R4)—、—N(R4)—或—N(R4)—CH2—、O；R2、R3、R4、R5、R6、R7和R8的含义如申请中所定义。这些化合物可用作AMPA受体的阳性调节剂。
• Sulfonamides Acting on the Central Nervous System, VI
  作者：Agar Monzani、Gianfranco Gamberini、Daniela Braghiroli、Maria Di Bella、Lina Raffa、Maurizio Sandrini

  DOI：10.1002/ardp.19853180404

  日期：——

  A series of 2‐(acylamino)benzenesulfonamides was prepared. Their anti‐convulsant effects on two convulsives (electro‐shock and pentetrazol) were studied. The structure/effect relationships were compared with those of a series of isomeric 2‐aminobenzenesulfon‐N‐acylamides and of 2‐nitrobenzenesulfon‐N‐acylamides. The possible influence of pKa and log P was examined.

  制备了一系列 2-（酰氨基）苯磺酰胺。研究了它们对两种惊厥（电休克和戊四唑）的抗惊厥作用。将结构/效应关系与一系列异构的 2-氨基苯磺-N-酰胺和 2-硝基苯磺-N-酰胺的结构/效应关系进行比较。检查了 pKa 和 log P 的可能影响。