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Coumarin 153 - >98.0%(HPLC), high purity , CAS No.53518-18-6

1 Citations COA COA
    Grade & Purity:
  • ≥98%(HPLC)
In stock
Item Number
C154039
Grouped product items
SKU Size
Availability
 Price Qty
C154039-200mg
200mg
9
$118.90
C154039-1g
1g
5
$409.90
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View related series
Six-Membered Heterocyclic Compounds (1696) Spectroscopic reagent (233)

Basic Description

Synonyms 2,3,6,7-Tetrahydro-9-(trifluoromethyl)-1H,5H,11H-[1] | C 6F | CHEBI:51773 | BBL027979 | Coumarin 540a | Pilot 495 | BDBM50875 | HMS2304H16 | SR-01000389313-1 | VS-08637 | EINECS 258-600-5 | STK386370 | 1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizin-11-one,
Specifications & Purity ≥98%(HPLC)
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Coumarins and derivatives
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Coumarins and derivatives
Alternative Parents 1-benzopyrans  Hydroquinolines  Dialkylarylamines  Pyranones and derivatives  Aralkylamines  Benzenoids  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Azacyclic compounds  Organofluorides  Hydrocarbon derivatives  Organooxygen compounds  Organopnictogen compounds  Alkyl fluorides  Organic oxides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Aralkylamine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description 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

Associated Targets(Human)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TSG101 Tbio Tumor susceptibility gene 101 protein (2874 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EYA2 Tbio Eyes absent homolog 2 (5884 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KEAP1 Tclin Kelch-like ECH-associated protein 1 (1736 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NFE2L2 Tchem Keap1/Nrf2 (1722 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

blaZ Beta-lactamase (285 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
bla(tem-2) Beta Lactamase (819 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504754658
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504754658
IUPAC Name 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
INCHI InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2
InChIKey VSSSHNJONFTXHS-UHFFFAOYSA-N
Smiles C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(F)(F)F
Isomeric SMILES C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(F)(F)F
Molecular Weight 309.29
Reaxy-Rn 3624201
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3624201&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
F1905116 Certificate of Analysis Mar 07, 2023 C154039
L2212237 Certificate of Analysis Dec 30, 2022 C154039
I2222510 Certificate of Analysis Jul 18, 2022 C154039
I2222512 Certificate of Analysis Jul 18, 2022 C154039

Chemical and Physical Properties

Sensitivity light sensitive
Melt Point(°C) 166℃
Molecular Weight 309.280 g/mol
XLogP3 3.200
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 309.098 Da
Monoisotopic Mass 309.098 Da
Topological Polar Surface Area 29.500 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 516.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Xiuzhu Huo, Xia Wang, Ran Yang, Zhaohui Li, Yuanqiang Sun, Lingbo Qu, Huajin Zeng.  (2020)  A novel fluorescent probe for highly selective and sensitive detection of hypobromous acid in arthritis model mice.  SENSORS AND ACTUATORS B-CHEMICAL,  315  (128125). 

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