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7-氨基-4-羧甲基香豆素 | 85157-21-7

7-氨基-4-羧甲基香豆素
2-(7-Amino-2-oxo-2H-chromen-4-yl)acetic acid
85157-21-7
C11H9NO4
219.193463087082
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:7-氨基-4-羧甲基香豆素结构式
名称和标识符
MDL MFCD13185880
InChIKey BPASMQQUFOLZCT-UHFFFAOYSA-N
Inchi 1S/C11H9NO4/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5H,3,12H2,(H,13,14)
SMILES O=C1C=C(CC(O)=O)C2C(=CC(=CC=2)N)O1
别名信息
- 中文别名 -
  • 7-氨基-4-羧甲基香豆素
  • 7-氨基香豆素-4-乙酸
  • 7-氨基-4-羧基甲基香豆素
- 英文别名 -
  • (7-Amino-2-oxo-2H-chromen-4-yl)acetic acid
  • 2-(7-Amino-2-oxo-2H-chromen-4-yl)acetic acid
  • 2-(7-amino-2-oxochromen-4-yl)acetic acid
  • 7-AMINO-4-CARBOXYMETHYL COUMARIN
  • 2-(7-aminocoumarin-4-yl)acetic acid
  • 7-amino-4-coumarinyl-acetic acid
  • 7-aminocoumarin-4-acetic acid
  • 7-Amino-4-carboxymethylcoumarin
  • 2H-1-Benzopyran-4-acetic acid, 7-amino-2-oxo-
  • 7-Amino-2-oxo-2H-1-benzopyran-4-acetic acid
  • PubChem13233
  • ZB1488
  • ZB1408
  • VZ30873
  • EN002700
  • ST2409356
  • AX8160257
  • AB002701
  • 7-Amino-2-oxo-2H-1-benzopyran-4-acetic acid (ACI)
  • (7-Amino-2-oxo-2H-chromen-4-yl)aceticacid
  • 2-(7-Amino-2-oxochromen-4-yl)acetic acid
  • 7-Amino-4-carboxymethyl coumarin
物化性质
实验特性
LogP 1.58350
PSA 93.53000
计算特性
精确分子量 219.05300
氢键供体数量 2
氢键受体数量 5
可旋转化学键数量 2
重原子数量 16
复杂度 350
疏水参数计算参考值(XlogP) 0.7
拓扑分子极性表面积 89.6
海关数据
海关编码 2932209090
海关数据

中国海关编码:

2932209090

概述:

2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Use of a small molecule as an initiator for interchain Staudinger reaction: A new ATP sensing platform using product fluorescence
Yu, Huan; Zheng, Jing; Yang, Sheng; Asiri, Abdullah M.; Alamry, Khalid A.; et al, Talanta, 2018, 178, 282-286

合成路线:1 步

反应条件:
参考文献:
Bifunctional coumarin derivatives in solution and solid phase synthesis of fluorogenic enzyme substrates
Charitos, Christos; Kokotos, George; Tzougraki, Chryssa, Journal of Heterocyclic Chemistry, 2001, 38(1), 153-158

合成路线:1 步

反应条件:
参考文献:
Expedient Solid-Phase Synthesis of Fluorogenic Protease Substrates Using the 7-Amino-4-carbamoylmethylcoumarin (ACC) Fluorophore
Maly, Dustin J.; Leonetti, Francesco; Backes, Bradley J.; Dauber, Deborah S.; Harris, Jennifer L.; et al, Journal of Organic Chemistry, 2002, 67(3), 910-915

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参考文献:
A versatile access to new halogenated 7-azidocoumarins for photoaffinity labeling: Synthesis and photophysical properties
Paunescu, Emilia; Louise, Ludivine; Jean, Ludovic; Romieu, Anthony; Renard, Pierre-Yves, Dyes and Pigments, 2011, 91(3), 427-434

合成路线:1 步

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参考文献:
o-Fluorination of Aromatic Azides Yields Improved Azido-Based Fluorescent Probes for Hydrogen Sulfide: Synthesis, Spectra, and Bioimaging
Wei, Chao; Wang, Runyu; Wei, Lv; Cheng, Longhuai; Li, Zhifei; et al, Chemistry - An Asian Journal, 2014, 9(12), 3586-3592

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Heiner, Sebastian; Detert, Heiner; Kuhn, Axel; Kunz, Horst, Bioorganic & Medicinal Chemistry, 2006, 14(18), 6149-6164

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参考文献:
Dual-Reactable Fluorescent Probes for Highly Selective and Sensitive Detection of Biological H2S
Wei, Chao; Wang, Runyu; Zhang, Changyu; Xu, Guoce; Li, Yanyan; et al, Chemistry - An Asian Journal, 2016, 11(9), 1376-1381

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参考文献:
Molecularly Engineered Quantum Dots for Visualization of Hydrogen Sulfide
Yan, Yehan; Yu, Huan; Zhang, Yajiao; Zhang, Kui; Zhu, Houjuan; et al, ACS Applied Materials & Interfaces, 2015, 7(6), 3547-3553

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参考文献:
Chromogenic anticounterfeit and security papers: an easy and effective approach
GUIRADO-MORENO, Jose Carlos; GUEMBE-GARCIA, Marta; Garcia, Jose M.; Aguado, Roberto; Valente, Artur J. M. ; et al, ACS Applied Materials & Interfaces, 2021, 13(50), 60454-60461

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参考文献:
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参考文献:
Marine natural products as inhibitors of cystathionine beta-synthase activity
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参考文献:
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合成路线:1 步

反应条件:
参考文献:
Ubiquitin 7-amino-4-carbamoylmethylcoumarin as an improved fluorogenic substrate for deubiquitinating enzymes
Li, Yi-Tong; Huang, Yi-Chao; Xu, Yang; Pan, Man; Li, Yi-Ming, Tetrahedron, 2016, 72(27-28), 4085-4090
化合物详情(旧版)

SMILES

OC(=O)CC1C2=C(C=C(N)C=C2)OC(=O)C=1

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