7-Amino-4-trifluoromethylcoumarin - 10mM in DMSO , CAS No.53518-15-3

CAS: 53518-15-3 Cat. No.: A424574 Peso molecular: 229.16 Beilstein Registry Number: 4456797 Número EC: 258-599-1

GRADE & PURITY 10mM in DMSO

Synonyms

7-amino-4-(trifluoromethyl)-1-benzopyran-2-one | 7-Amino-4-(trifluoromethyl)-2-benzopyrone | BDBM83209 | HY-D0981 | A15632 | CCG-245871 | Coumarin 490 | SMR000034073 | 7-Amino-4-(trifluoromethyl)coumarin | 7-amino-4-trifluoromethylcumarin | 7-Amino-4-trif

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Product Application:

7-Amino-4-(trifluoromethyl)coumarin is used in the synthesis of substrates for the fluorometric assay of proteolytic enzymes in biological fluids. It is suitable as laser dye.

Specifications

Sinónimos

7-amino-4-(trifluoromethyl)-1-benzopyran-2-one | 7-Amino-4-(trifluoromethyl)-2-benzopyrone | BDBM83209 | HY-D0981 | A15632 | CCG-245871 | Coumarin 490 | SMR000034073 | 7-Amino-4-(trifluoromethyl)coumarin | 7-amino-4-trifluoromethylcumarin | 7-Amino-4-trif

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Fluorescent marker. Substrate for fluorogenic enzyme assays. Calibration standard.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F
• IUPAC Name: 7-amino-4-(trifluoromethyl)chromen-2-one
• InChIKey: JBNOVHJXQSHGRL-UHFFFAOYSA-N
• INCHI: 1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2
• Isómeros SMILES: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F
• WGK Alemania: 3
• Peso molecular: 229.16
• Beilstein: 4456797
• Reaxy-Rn: 4456797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4456797&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Alkyl fluoride - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• External Descriptors: 7-aminocoumarins

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL3 (228 Activities)

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A549 (127892 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GMNN Tbio Geminin (128009 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

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Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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Influenza A virus (11224 Activities)

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CHO (4503 Activities)

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lef Anthrax lethal factor (7585 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Tlr9 Toll-like receptor 9 (360 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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bla(tem-2) Beta Lactamase (819 Activities)

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FTL Ferritin light chain (43324 Activities)

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Mbp Myelin basic protein (42 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 222-223°C
• Peso molecular: 229.150 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 229.035 Da
• Monoisotopic Mass: 229.035 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yi Sun, Wei Zhang, Shan Lu, Wenhua Miao, Meiling Chen, Fei Liu, Haining Na, Jin Zhu.  (2022)  Cellulose-based fluorescent materials fabricated in CO2 switchable solvent for freshness monitoring.  CARBOHYDRATE POLYMERS,      [PMID:36446495] [10.1016/j.carbpol.2022.120346]

2. Zirui Zheng, Ziyun Yang, Zehua Meng, Siyang Liu, Tianyue Wu, Chengyi He, Chenhui Zhang, Ma Chen, Yuxia Gao, Fengpei Du.  (2024)  Sustainable nanocarriers fabricated by the dipeptide-based co-assemblies for enhancing the delivery and translocation of herbicide.  Environmental Science-Nano,      [PMID:] [10.1039/D4EN00696H]

3. Meiling Chen, Sijia Chen, Yi Sun, Yuyan Zheng, Wenhua Miao, Yadong Zhao, Bin Zheng, Shaimaa Hatab, Jin Zhu, Fei Liu.  (2025)  Cellulose-based fluorescent micelles for the visible loading and releasing of paclitaxel.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40545098] [10.1016/j.ijbiomac.2025.145445]