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2-amino-3,4,5-trimethoxybenzonitrile | 184042-07-7

中文名称
——
中文别名
——
英文名称
2-amino-3,4,5-trimethoxybenzonitrile
英文别名
——
2-amino-3,4,5-trimethoxybenzonitrile化学式
CAS
184042-07-7
化学式
C10H12N2O3
mdl
——
分子量
208.217
InChiKey
CLBQUHUURCFVKS-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.4
  • 重原子数:
    15
  • 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:
    77.5
  • 氢给体数:
    1
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2-amino-3,4,5-trimethoxybenzonitrile氯化亚砜potassium carbonate 、 sodium hydroxide 作用下, 以 甲醇二氯甲烷N,N-二甲基甲酰胺 为溶剂, 反应 7.0h, 生成 4-(6,7,8-trimethoxy-2-phenylquinazolin-4-yl)morpholine
    参考文献:
    名称:
    Synthesis and screening of novel 4-N-heterocyclic-2-aryl-6,7,8-trimethoxyquinazolines as antiproliferative and tubulin polymerization inhibitors
    摘要:
    DOI:
    10.1016/j.bmc.2022.116976
  • 作为产物:
    描述:
    3,4,5-三甲氧基苯甲腈 以13%的产率得到2-amino-3,4,5-trimethoxybenzonitrile
    参考文献:
    名称:
    N-aryl thienyl-, furyl-, and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin
    摘要:
    提供了噻吩基、呋喃基和吡咯基磺酰胺以及用于调节或改变内皮素肽家族活性的方法。特别是,提供了N-(异恶唑基)噻吩磺酰胺、N-(异恶唑基)呋喃磺酰胺和N-(异恶唑基)吡咯磺酰胺以及使用这些磺酰胺通过将受体与磺酰胺接触来抑制内皮素肽与内皮素受体结合的方法。还提供了通过施用有效量的一个或多个这些磺酰胺或其前药来治疗内皮素介导的疾病的方法,这些磺酰胺或其前药抑制或增加内皮素的活性。
    公开号:
    US06342610B2
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文献信息

  • Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin
    申请人:——
    公开号:US20020095041A1
    公开(公告)日:2002-07-18
    Biphenylsulfonamides and methods for modulating or altering the activity of the endothelin family of peptides are provided. In particular, bicyclic or tricyclic carbon or heterocyclic ring biphenylsulfonamides and methods using these sulfonamides for inhibiting the binding of an endothelin peptide to an endothelin receptor by contacting the receptor with the sulfonamide are provided. Methods for treating endothelin-mediated disorders by administering effective amounts of one or more of these sulfonamides or prodrugs thereof that inhibit or increase the activity of endothelin are also provided.
    提供了二苯基磺胺类化合物和调节或改变内皮素家族肽活性的方法。具体包括使用双环或三环碳或杂环环二苯基磺胺类化合物的方法,通过将该磺胺类化合物与内皮素受体接触来抑制内皮素肽与内皮素受体的结合。还提供了通过给予有效剂量的这些磺胺类化合物或其前药来治疗内皮素介导的疾病的方法,这些化合物能够抑制或增加内皮素的活性。
  • N-aryl thienyl-, furyl-, and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin
    申请人:Texas Biotechnology Corp.
    公开号:US06342610B2
    公开(公告)日:2002-01-29
    Thienyl-, furyl- and pyrrolyl-sulfonamides and methods for modulating or altering the activity of the endothelin family of peptides are provided. In particular, N-(isoxazolyl)thienylsulfonamides, N-(isoxazolyl)furylsulfonamides and N-(isoxazolyl)pyrrolylsulfonamides and methods using these sulfonamides for inhibiting the binding of an endothelin peptide to an endothelin receptor by contacting the receptor with the sulfonamide are provided. Methods for treating endothelin-mediated disorders by administering effective amounts of one or more of these sulfonamides or prodrugs thereof that inhibit or increase the activity of endothelin are also provided.
    提供了噻吩基、呋喃基和吡咯基磺酰胺以及用于调节或改变内皮素肽家族活性的方法。特别是,提供了N-(异恶唑基)噻吩磺酰胺、N-(异恶唑基)呋喃磺酰胺和N-(异恶唑基)吡咯磺酰胺以及使用这些磺酰胺通过将受体与磺酰胺接触来抑制内皮素肽与内皮素受体结合的方法。还提供了通过施用有效量的一个或多个这些磺酰胺或其前药来治疗内皮素介导的疾病的方法,这些磺酰胺或其前药抑制或增加内皮素的活性。
  • Thienyl-, furyl-, pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin
    申请人:TEXAS BIOTECHNOLOGY CORPORATION
    公开号:EP1048657A1
    公开(公告)日:2000-11-02
    Biphenylsufonamides of the following formula and methods for modulating or altering the activity of the endothelin family of peptides are provided. The sulfonamides may be used for inhibiting the binding of an endothelin peptide to an endothelin receptor by contacting the receptor with the sulfonamide or a pharmaceutically acceptable salt, acid or ester thereof, wherein Ar2 is and wherein Ar1, R13 and R26 are as defined herein.
    提供以下式子的二苯基磺酰胺和调节或改变内皮素家族肽活性的方法。这些磺酰胺可用于通过将受体与磺酰胺或其药学上可接受的盐、酸或酯接触来抑制内皮素肽与内皮素受体的结合,其中Ar2为,Ar1,R13和R26的定义如本文所述。
  • Endothelin Antagonists:  Substituted Mesitylcarboxamides with High Potency and Selectivity for ET<sub>A</sub> Receptors
    作者:Chengde Wu、E. Radford Decker、Natalie Blok、Huong Bui、Qi Chen、B. Raju、Andree R. Bourgoyne、Vippra Knowles、Ronald J. Biediger、Robert V. Market、Shuqun Lin、Brian Dupré、Timothy P. Kogan、George W. Holland、Tommy A. Brock、Richard A. F. Dixon
    DOI:10.1021/jm9900063
    日期:1999.11.1
    We have previously disclosed the discovery of 2,4-disubstituted anilinothiophenesulfonamides with potent ETA-selective endothelin receptor antagonism and the subsequent identification of sitaxsentan (TBC11251, 1) as a clinical development compound (Wu et al. J. Med. Chem. 1997, 40, 1682 and 1690). The orally active 1 has demonstrated efficacy in a phase II clinical trial of congestive heart failure (Givertz ct al. Circulation 1998, 98, Abstr. #3044) and was active in rat models of myocardial infarction (Podesser et al. Circulation. 1998, 98, Abstr. #2896) and acute hypoxia-induced pulmonary hypertension (Chen et al. FASEB J. 1996, 10 (3), A104). We now report that an additional substituent at the 6-position of the anilino ring further increases the potency of this series of compounds. It was also found that a wide range of functionalities at the 3-position of the 2,4,6-trisubstituted ring increased ETA selectivity by similar to 10-fold while maintaining in vitro potency, therefore rendering the compounds amenable to fine-tuning of pharmacological and toxicological profiles with enhanced selectivity. The optimal compound in this series was found to be TBC2576 (7u), which has similar to 10-fold higher ETA binding affinity than 1, high ETA/ETB selectivity, and a serum half-life of 7.3 h in rats, as well as in vivo activity.
  • THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN
    申请人:TEXAS BIOTECHNOLOGY CORPORATION
    公开号:EP0819125B1
    公开(公告)日:2003-06-18
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