[(4-乙基苯基)磺酰基]-乙腈 | 393802-35-2

• 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-乙基苯基)磺酰基]-乙腈
• 英文名称: 4-ethyl-phenylsulfonylacetonitrile
• 英文别名: [(4-Ethylphenyl)sulfonyl]acetonitrile；2-(4-ethylphenyl)sulfonylacetonitrile
• CAS: 393802-35-2
• 化学式: C₁₀H₁₁NO₂S
• 分子量: 209.269
• InChiKey: MKSUXLKQMXCBIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  66.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(4-乙基苯基)磺酰基]-乙腈 、 methyl 3-azidothiophene-2-carboxylate 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 0.33h， 生成 3-(4-ethyl-benzenesulfonyl)-4H-thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-one
  参考文献：
  名称：

  3-（苯基磺酰基）噻吩并[2,3- e ] [1,2,3]三唑并[1,5- a ]嘧啶类化合物作为强效和选择性5-羟色胺5-HT 6受体拮抗剂的合成及生物学研究

  摘要：

  制备了许多3-（苯磺酰基）噻吩并[2,3- e ] [1,2,3]三唑并[1,5- a ]嘧啶，它们与5-HT 6受体的结合亲和力和抑制细胞功能的能力评估对5-羟色胺的反应。3-[（3-氯苯基）磺酰基] -N-（四氢呋喃-2-基甲基）噻吩并[2,3- e ] [1,2,3]三唑并[1,5 - a ]嘧啶-5-胺2 { 5，26 }似乎是最活跃的在功能测定法（IC 50  = 29.0纳米）和3-（苯基磺酰基） - ñ - （2-噻吩甲基）噻吩并[2,3- ë ] [1,2,3]三唑并[1,5- a ]嘧啶-5-胺2 { 1，28 }表明，在5-HT的最大亲和力6受体放射性配体结合测定法（ķ我 = 1.7纳米）。对5-HT 2A和5-HT 2B受体亲和力的筛选显示3-（苯磺酰基）噻吩并[2,3- e ] [1,2,3]三唑并[1,5- a ]嘧啶是高度选择性的5- HT 6受体配体。

  DOI：

  10.1016/j.bmc.2010.05.051

文献信息

• [EN] TRIAZOLOTHIENOPYRIMIDINE COMPOUND INHIBITORS OF UREA TRANSPORTERS AND METHODS OF USING INHIBITORS<br/>[FR] COMPOSÉS INHIBITEURS TRIAZOLOTHIÉNOPYRIMIDINES DE TRANSPORTEURS D'URÉE ET PROCÉDÉS D'UTILISATION DES INHIBITEURS
  申请人：UNIV CALIFORNIA

  公开号：WO2013148813A1

  公开（公告）日：2013-10-03

  Provided herein are small molecule triazolothienopyrimidine compounds that inhibit urea transport activity of solute transporters, particularly the UT-B transporter. The compounds described herein are useful for increasing solute clearance in states of fluid overload and for treating refractory edema associated with cardiovascular, renal, and metabolic diseases, disorders, and conditions.

  本文提供了一种小分子三唑并噻吩嘧啶化合物，可抑制溶质转运体的尿素转运活性，尤其是UT-B转运体。本文所描述的化合物可用于增加液体过载状态下的溶质清除，并用于治疗与心血管、肾脏和代谢性疾病、障碍和病况相关的顽固性水肿。
• 5-Arylsulfonyl-imidazo[1',2':1,6]pyrido[2,3-b]pyrazine-6-amines and related compounds
  申请人：——

  公开号：US20030203911A1

  公开（公告）日：2003-10-30

  A compound of the formula 1 wherein a, X, R 1 , R 2 , R 3 and R 4 are as defined above, useful in the treatment of respiratory, allergic, rheumatoid, body weight regulation, inflammatory and central nervous system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory diseases syndrome, shock, fibrosis, pulmonary hypersensitivity, allergic rhinitis, atopic dermatitis, psoriasis, weight control, rheumatoid arthritis, cachexia, crohn's disease, ulcerative colitis, arthritic conditions and other inflammatory diseases, depression, multi-infarct dementia and AIDS.

  式1的化合物，其中a，X，R1，R2，R3和R4如上所定义，可用于治疗呼吸系统，过敏，风湿性，体重调节，炎症和中枢神经系统疾病，如哮喘，慢性阻塞性肺疾病，成人呼吸系统疾病综合征，休克，纤维化，肺过敏，过敏性鼻炎，特应性皮炎，银屑病，体重控制，风湿性关节炎，恶病质，克罗恩病，溃疡性结肠炎，关节炎和其他炎症性疾病，抑郁症，多发性梗塞性痴呆和艾滋病。
• 5-arylsulfonyl-imidazo[1'2':1,6]pyrido[2,3-b]pyrazine-6-amines and related compounds
  申请人：——

  公开号：US20020013467A1

  公开（公告）日：2002-01-31

  A compound of the formula 1 wherein a, X, R 1 , R 2 , R 3 and R 4 are as defined above, useful in the treatment of respiratory, allergic, rheumatoid, body weight regulation, inflammatory and central nervous system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory diseases syndrome, shock, fibrosis, pulmonary hypersensitivity, allergic rhinitis, atopic dermatitis, psoriasis, weight control, rheumatoid arthritis, cachexia, crohn's disease, ulcerative colitis, arthritic conditions and other inflammatory diseases, depression, multi-infarct dementia and AIDS.

  一种化合物的公式为1，其中a，X，R1，R2，R3和R4如上所定义，可用于治疗呼吸系统、过敏、类风湿、体重调节、炎症和中枢神经系统紊乱，如哮喘、慢性阻塞性肺疾病、成人呼吸系统疾病综合征、休克、纤维化、肺过敏、过敏性鼻炎、特应性皮炎、银屑病、体重控制、类风湿性关节炎、消瘦、克罗恩病、溃疡性结肠炎、关节炎和其他炎症性疾病、抑郁症、多发性脑梗死和艾滋病。
• 5-arylsulfonyl-imidazo[1',2':1,6]pyrido[2,3-b]pyrazine-6-amines and related compounds
  申请人：——

  公开号：US20020147340A1

  公开（公告）日：2002-10-10

  A compound of the formula 1 wherein a, X, R 1 , R 2 , R 3 and R 4 are as defined above, useful in the treatment of respiratory, allergic, rheumatoid, body weight regulation, inflammatory and central nervous system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory diseases syndrome, shock, fibrosis, pulmonary hypersensitivity, allergic rhinitis, atopic dermatitis, psoriasis, weight control, rheumatoid arthritis, cachexia, crohn's disease, ulcerative colitis, arthritic conditions and other inflammatory diseases, depression, multi-infarct dementia and AIDS.

  化合物的公式1，其中a、X、R1、R2、R3和R4如上所定义，可用于治疗呼吸系统、过敏、风湿性、体重调节、炎症和中枢神经系统疾病，如哮喘、慢性阻塞性肺疾病、成人呼吸系统疾病综合征、休克、纤维化、肺过敏、过敏性鼻炎、特应性皮炎、银屑病、体重控制、风湿性关节炎、消瘦、克罗恩病、溃疡性结肠炎、关节炎和其他炎症性疾病、抑郁症、多发性梗塞性痴呆和艾滋病。
• Development of improved inhibitors of wall teichoic acid biosynthesis with potent activity against Staphylococcus aureus
  作者：Kyungae Lee、Jennifer Campbell、Jonathan G. Swoboda、Gregory D. Cuny、Suzanne Walker

  DOI：10.1016/j.bmcl.2010.01.036

  日期：2010.3

  A small molecule (1835F03) that inhibits Staphylococcus aureus wall teichoic acid biosynthesis, a proposed antibiotic target, has been discovered. Rapid, parallel, solution-phase synthesis was employed to generate a focused library of analogs, providing detailed information about structure-activity relationships and leading to the identification of targocil, a potent antibiotic. (C) 2010 Elsevier Ltd. All rights reserved.