(4-isopropyl-phenyl)-carbamic acid 1-[1-(6,7-dimethoxy-quinazolin-4-yl)-piperidine-3-yl] ester

• 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-isopropyl-phenyl)-carbamic acid 1-[1-(6,7-dimethoxy-quinazolin-4-yl)-piperidine-3-yl] ester
• 英文别名: (4-isopropyl-phenyl)-carbamic acid 1-[1-(6,7-dimethoxy-quinazolin-4-yl)-piperidin-3-yl] ester；(4-isopropyl-phenyl)-carbamic acid 1-quinolin-4-yl ester；(4-isopropyl-phenyl)-aminocarboxylic acid；(4-isopropaneyl-phenyl)-carbamic acid；[4-(propan-2-yl) phenyl]carbamic acid；(4-Isopropyl-phenyl)-carbamic acid；HOBT；(4-propan-2-ylphenyl)carbamic acid
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: LSHMLUZVIBKADU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-isopropyl-phenyl)-carbamic acid 1-[1-(6,7-dimethoxy-quinazolin-4-yl)-piperidine-3-yl] ester 、 1-(5-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)-4, 5-dihydro-1H-pyrazol-1-yl)ethanone 以 四氢呋喃 为溶剂， 以83%的产率得到1-(4-(1-acetyl-3-(3,4-dimethoxyphenyl)-4, 5-dihydro-1H-pyrazol-5-yl) phenyl)-3-(4-isopropylphenyl)urea
  参考文献：
  名称：

  Synthesis, anti-inflammatory and antimicrobial evaluation of novel 1-acetyl-3,5-diaryl-4,5-dihydro (1H) pyrazole derivatives bearing urea, thiourea and sulfonamide moieties

  摘要：

  A series of novel 1-acetyl-3-(3,4-dimethoxypheny)-5-(4-(3-(arylureido/arylthioureido/arylsulfonamido) phenyl)-4,5-dihydropyrazole derivatives of biological interest have been prepared by sequential cyclization of 1-(4-nitrophenyl)-3-(3,4-dimethoxyphenyl)-pro-2-ene-1 with hydrazine hydrate, reduction followed by reaction of resulting amine with different arylisocyanates or arylisothiocyanates or arylsulfonyl chlorides. All the synthesized compounds (1- 32) have been screened for their pro-inflammatory cytokines (TNF-alpha and IL-6) and antimicrobial activity (antibacterial and antifungal). Biological evaluation study showed, the compounds 4, 5, 9, 11, 14 and 16 found to have promising anti-inflammatory activity (up to 61-85% TNF-alpha and 76-93% IL-6 inhibitory activity) at concentration of 10 mu M with reference to standard dexamethasone (76% TNF-alpha and 86% IL-6 inhibitory activity at 1 mu M). Compounds 24, 26, 27, 28 and 29 exhibited promising antimicrobial activity at MIC values ranging from 70 to 10 mu g/mL against all the selected pathogenic bacteria and fungi. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.118
• 作为产物：
  描述：

  异丙隆 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (4-isopropyl-phenyl)-carbamic acid 1-[1-(6,7-dimethoxy-quinazolin-4-yl)-piperidine-3-yl] ester
  参考文献：
  名称：

  CTAB和NaLS胶束中异丙隆碱解动力学

  摘要：

  在不存在和存在十六烷基三甲基溴化铵 (CTAB) 和十二烷基硫酸钠 (NaLS) 胶束的情况下，研究了异丙隆碱性水解的动力学。发现CTAB胶束提高反应速率，而NaLS胶束抑制反应速率。该反应在[异丙隆]中服从一级动力学，并且在较低浓度下线性依赖于[NaOH]。在较高的 [NaOH] 下，反应速率变得独立。在较低的 [NaOH] 下，反应通过形成氢氧根离子加成络合物进行，而在较高的 [NaOH] 下，反应通过 NH 的去质子化发生，导致异氰酸酯的形成。kw、km 和 Ks 的值是通过考虑假相离子交换模型来确定的。还报告了激活参数。还研究了添加盐（NaCl 和 KNO3）对反应速率的影响。© 2006 Wiley Periodicals, Inc. Int J Chem Kinet 39: 39–45, 2007

  DOI：

  10.1002/kin.20213

文献信息

• [EN] HYDROXAMIC ACID DERIVATIVES AND THE METHOD FOR PREPARING THEREOF<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE ET LEUR METHODE DE PREPARATION
  申请人：AMOREPACIFIC CORP

  公开号：WO2005019162A1

  公开（公告）日：2005-03-03

  The present invention provides hydroxamic acid derivatives represented by the following formula (I), having anti-aging efficacy and a method for preparation thereof: wherein, R1 is or, herein, R5 and R6 each independently represents a hydrogen atom, a C1-C10 alkyl group or a C3-C6 cyclic alkyl group; R2 is CONH, NHCO, CONR7 or NR7CO, herein, R7 represents a C1-C10 alkyl group; R3 is (CH)n-, herein, n=0 or 1; and R4 is a hydrogen atom or a C1-C10 alkyl group. Further, the present invention provides skin-care external compositions for preventing skin aging, containing said hydroxamic acid derivatives represented by the formula (I) as an active ingredient.

  本发明提供了以下式(I)所代表的羟羧胺衍生物，具有抗衰老功效以及其制备方法：其中，R1为或，此处，R5和R6分别独立表示氢原子、C1-C10烷基或C3-C6环烷基；R2为CONH、NHCO、CONR7或NR7CO，此处，R7表示C1-C10烷基；R3为(CH)n-，此处，n=0或1；R4为氢原子或C1-C10烷基。此外，本发明提供了用作预防皮肤衰老的护肤外用组合物，含有所述式(I)代表的羟羧胺衍生物作为活性成分。
• [EN] 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS<br/>[FR] COMPOSES 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE POUR LE TRAITEMENT DE LA TUBERCULOSE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2005042542A1

  公开（公告）日：2005-05-12

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1)in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and -(CH2)nR2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30)and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供了一种由以下一般式表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物：(1)在上述式(1)中，R1代表氢原子或C1-C6烷基，n代表0至6的整数，R1和-(CH2)nR2可以与下面的式(30)一起形成一个螺环，与相邻的碳原子一起（在下面的式中，RRR代表可能在哌啶环上具有取代基的哌啶基），(30)和R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似物。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型耐酸细菌具有出色的杀菌作用。
• Novel Method for Preparation of Bisnorcymerine and Salts Thereof
  申请人：MacCecchini Maria

  公开号：US20130096316A1

  公开（公告）日：2013-04-18

  The present invention includes a novel method of preparing N 1 ,N 8 -bisnorcymserine. The present invention also includes a method of preparing a 1:1 salt of (−)-N 1 ,N 8 -bisnorcymserine with an acid.

  本发明涵盖了一种制备N1，N8-双去环脂碱的新方法。本发明还涵盖了一种制备(-)-N1，N8-双去环脂碱与酸形成1:1盐的方法。
• [EN] HIGHLY SELECTIVE BUTYRYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT AND DIAGNOSIS OF ALZHEIMER'S DISEASE AND DEMENTIAS<br/>[FR] INHIBITEURS DE BUTYRYLCHOLINESTERASE HAUTEMENT SELECTIFS POUR LE TRAITEMENT ET LE DIAGNOSTIC DE DEMENCES ET DE LA MALADIE D'ALZHEIMER
  申请人：AXONYX

  公开号：WO1999002154A1

  公开（公告）日：1999-01-21

  (EN) The present disclosure relates to the discovery that highly selective butyrylcholinesterase inhibitors can prevent or treat cognitive impairments associated with aging or Alzheimer's disease. A preferred butyrylcholinesterase inhibitor is cymserine.(FR) La présente invention se rapporte à la découverte que des inhibiteurs de butyrylcholinestérase hautement sélectifs peuvent prévenir ou traiter des déficiences cognitives associées au vieillissement ou à la maladie d'Alzheimer. Un inhibiteur préféré de butyrylcholinestérase est la cymsérine.

  本公开涉及到的发现是高度选择性的丁酰胆碱酯酶抑制剂可以预防或治疗与老化或阿尔茨海默病相关的认知障碍。一种首选的丁酰胆碱酯酶抑制剂是西姆色林。
• AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS
  申请人：Baindur Nand

  公开号：US20070004763A1

  公开（公告）日：2007-01-04

  The invention is directed to aminoquinoline and aminoquinazoline compounds of Formula I: where R 1 , R 2 , R 3 , B, Z, Q, p, q and X are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of FLT3 and/or TrkB, the use of such compounds to reduce or inhibit kinase activity of FLT3 and/or TrkB in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to FLT3 and/or TrkB. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  本发明涉及式I的氨基喹啉和氨基喹唑啉化合物：其中R1，R2，R3，B，Z，Q，p，q和X如本文所定义，这些化合物的应用作为蛋白酪氨酸激酶调节剂，特别是FLT3和/或TrkB的抑制剂，这些化合物的应用用于减少或抑制细胞或受体内FLT3和/或TrkB的激酶活性，以及这些化合物的应用于预防或治疗细胞增殖性疾病和/或与FLT3和/或TrkB相关的疾病。本发明进一步涉及包括本发明化合物的制药组合物以及治疗癌症和其他细胞增殖性疾病的方法。