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7-甲氧基-3-喹啉羧酸 | 474659-26-2

中文名称
7-甲氧基-3-喹啉羧酸
中文别名
——
英文名称
7-methoxyquinoline-3-carboxylic acid
英文别名
——
7-甲氧基-3-喹啉羧酸化学式
CAS
474659-26-2
化学式
C11H9NO3
mdl
MFCD09787873
分子量
203.197
InChiKey
LDMIDFLMDWSHMF-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

物化性质

  • 沸点:
    385.4±27.0 °C(Predicted)
  • 密度:
    1.325±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.7
  • 重原子数:
    15
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.09
  • 拓扑面积:
    59.4
  • 氢给体数:
    1
  • 氢受体数:
    4

安全信息

  • 海关编码:
    2933499090
  • WGK Germany:
    3
  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H335
  • 储存条件:
    2-8°C,干燥

SDS

SDS:d4b210812a0fc279ebf5b2ff62c71658
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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:
    7-甲氧基-3-喹啉羧酸4-二甲氨基吡啶盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺三乙胺 作用下, 以 乙腈 为溶剂, 反应 88.0h, 生成 ((2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl 7-methoxyquinoline-3-carboxylate
    参考文献:
    名称:
    Delivering FLT to the Central Nervous System by Means of a Promising Targeting System: Synthesis, [11C]Radiosynthesis, and in Vivo Evaluation
    摘要:
    The development of delivery systems to transport some specific radiotracers across the blood-brain barrier (BBB) needs to be investigated for brain imaging. [F-18]FLT (3'-deoxy-3'-F-18-fluoro-L-thymidine), an analogue substrate of the nucleoside thymidine, has been developed as a proliferation tracer for oncological PET studies. Unfortunately, low-grade brain tumors are poorly visualized due to the low uptake of [18F]FLT in brain tissue, preventing its use in PET imaging to detect brain tumors at an early stage. Based on our previous work, a redox chemical delivery system (CDS) related to Bodor's strategy was developed to enable the penetration of FLT into the brain. To this end, FLT was covalently linked to a series of lipophilic carriers based on a 1,4-dihydroquinoline structure. To determine the best carrier, various sets of [C-11]CDS-FLT were prepared and injected into rats. Pleasingly, in vivo results let us suggest that this CDS is a promising approach to overcome the BBB to target low-grade brain tumors for PET imaging.
    DOI:
    10.1021/acschemneuro.7b00218
  • 作为产物:
    描述:
    7-甲氧基-3-喹啉羧酸乙酯sodium hydroxide盐酸 作用下, 以 四氢呋喃甲醇 为溶剂, 反应 18.0h, 生成 7-甲氧基-3-喹啉羧酸
    参考文献:
    名称:
    [EN] SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE
    [FR] PYRAZOLES SUBSTITUES, COMPOSITIONS CONTENANT DE TELS COMPOSES ET LEURS METHODES D'UTILISATION
    摘要:
    公开号:
    WO2006014618A3
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文献信息

  • The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors
    作者:David N. Deaton、Young Do、Jason Holt、Michael R. Jeune、H. Fritz Kramer、Andrew L. Larkin、Lisa A. Orband-Miller、Gregory E. Peckham、Chuck Poole、Daniel J. Price、Lee T. Schaller、Ying Shen、Lisa M. Shewchuk、Eugene L. Stewart、J. Darren Stuart、Stephen A. Thomson、Paris Ward、Joseph W. Wilson、Tianshun Xu、Jeffrey H. Guss、Caterina Musetti、Alan R. Rendina、Karen Affleck、David Anders、Ashley P. Hancock、Heather Hobbs、Simon T. Hodgson、Jonathan Hutchinson、Melanie V. Leveridge、Harry Nicholls、Ian E.D. Smith、Don O. Somers、Helen F. Sneddon、Sorif Uddin、Anne Cleasby、Paul N. Mortenson、Caroline Richardson、Gordon Saxty
    DOI:10.1016/j.bmc.2019.02.017
    日期:2019.4
    converted into the 70-fold more potent quinoline 1d (IC50 = 3,100 nM, LE = 0.49). A systematic substitution of the amine moiety of 1d, utilizing structural information and array chemistry, with modifications to improve inhibitor stability, resulted in the identification of the 300-fold more active H-PGDS inhibitor tool compound 1bv (IC50 = 9.9 nM, LE = 0.42). This selective inhibitor exhibited good murine pharmacokinetics
    为了发现比COX抑制剂更具选择性的消炎药,以减弱前列腺素信号传导,进行了基于片段的造血前列腺素D合酶筛选。将76个晶体学命中物分为相似的组,其中3-氰基喹啉1a(FP IC50 = 220,000 nM,LE = 0.43)是6,6-稠合杂环簇的有效成员。利用从其他H-PGDS片段结合模式簇的结构比较中获得的SAR洞察力,将初始命中1a转化为更有效的喹啉1d(IC50 = 3,100 nM,LE = 0.49)。利用结构信息和阵列化学方法,系统修饰1d的胺部分,并进行修饰以改善抑制剂的稳定性,结果鉴定出具有300倍活性的H-PGDS抑制剂工具化合物1bv(IC50 = 9.9 nM,LE = 0.42)。这种选择性抑制剂在肥大细胞脱粒试验中表现出良好的鼠药代动力学,剂量依赖性地减弱了PGD2的产生,应该适合于进一步研究H-PGDS生物学。
  • [EN] SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF<br/>[FR] ACIDES HYDROXAMIQUES SUBSTITUÉS ET LEURS UTILISATIONS
    申请人:MILLENNIUM PHARM INC
    公开号:WO2011146591A1
    公开(公告)日:2011-11-24
    This invention provides compounds of formula (I): wherein R1a, R1, R2a, and R2b have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.
    本发明提供了具有以下结构的化合物(I):其中R1a、R1、R2a和R2b的取值如规范中所述,在HDAC6抑制剂中有用。该发明还提供了包括该发明化合物的药物组合物,以及使用这些组合物治疗增生性、炎症性、传染性、神经系统或心血管疾病或疾病的方法。
  • [EN] OXADIAZOLE INHIBITORS OF HIPK2 FOR TREATING KIDNEY FIBROSIS<br/>[FR] INHIBITEURS D'OXADIAZOLE DE HIPK2 POUR LE TRAITEMENT DE LA FIBROSE RÉNALE
    申请人:ICAHN SCHOOL MED MOUNT SINAI
    公开号:WO2018129274A1
    公开(公告)日:2018-07-12
    Compounds that are selective inhibitors of Smad3 activation are disclosed. The compounds have the structure (I) in which Z is an oxadiazole. The compounds disclosed are useful in treatment of fibrotic disease, particularly renal fibrosis, and similar diseases associated with the dysregulation of the HIPK2/Smad3 signaling pathway.
    抑制Smad3激活的选择性抑制剂化合物已被披露。这些化合物具有结构(I),其中Z是噁二唑。披露的化合物在治疗纤维化疾病,特别是肾脏纤维化以及与HIPK2/Smad3信号通路失调相关的类似疾病方面是有用的。
  • [EN] 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS<br/>[FR] DERIVES PYRIMIDINYLE 2,4-BISUSBTITUES UTILES EN TANT QU'AGENTS ANTICANCEREUX
    申请人:AMGEN INC
    公开号:WO2003018021A1
    公开(公告)日:2003-03-06
    The invention encompasses compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions, uses and methods for prophylaxis and treatment of cancer.
    该发明涵盖了化合物、类似物、前药及其药物学上可接受的盐、药物组合物、用途以及预防和治疗癌症的方法。
  • Substituted pyrimidinyl derivatives and methods of use
    申请人:——
    公开号:US20040063705A1
    公开(公告)日:2004-04-01
    The invention encompasses compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions, uses and methods for prophylaxis and treatment of cancer.
    本发明涵盖化合物、类似物、前药及其药学上可接受的盐、制药组合物、用途和预防和治疗癌症的方法。
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