6-bromocoumarin-3-carboxylic acid

Modify Date: 2025-08-25 19:58:14

6-bromocoumarin-3-carboxylic acid Structure
6-bromocoumarin-3-carboxylic acid structure
Common Name 6-bromocoumarin-3-carboxylic acid
CAS Number 2199-87-3 Molecular Weight 269.04800
Density 1.874g/cm3 Boiling Point 439ºC at 760mmHg
Molecular Formula C10H5BrO4 Melting Point 195-198 °C(lit.)
MSDS Chinese USA Flash Point 219.3ºC

 Use of 6-bromocoumarin-3-carboxylic acid


UBP608 is a potent N-Methyl-D-aspartate receptors (NMDARs) negative allosteric modulator. UBP608 has the potential for the research of neurological disorders[1].

 Names

Name 6-bromo-2-oxochromene-3-carboxylic acid
Synonym More Synonyms

 6-bromocoumarin-3-carboxylic acid Biological Activity

Description UBP608 is a potent N-Methyl-D-aspartate receptors (NMDARs) negative allosteric modulator. UBP608 has the potential for the research of neurological disorders[1].
Related Catalog
Target

NMDA Receptor

In Vitro UBP608 (100 µM) 显示出抑制活性,对 GluN1/GluN2A、GluN1/GluN2B、GluN1/GluN2C、GluN1/GluN2D 的抑制率分别为 89.3%、63.5%、56.1%、23.6%[1]。
References

[1]. Irvine MW, et al. Coumarin-3-carboxylic acid derivatives as potentiators and inhibitors of recombinant and native N-methyl-D-aspartate receptors. Neurochem Int. 2012 Sep;61(4):593-600.  

 Chemical & Physical Properties

Density 1.874g/cm3
Boiling Point 439ºC at 760mmHg
Melting Point 195-198 °C(lit.)
Molecular Formula C10H5BrO4
Molecular Weight 269.04800
Flash Point 219.3ºC
Exact Mass 267.93700
PSA 67.51000
LogP 2.25370
Vapour Pressure 1.76E-08mmHg at 25°C
InChIKey XFQHPAXNKDYMOX-UHFFFAOYSA-N
SMILES O=C(O)c1cc2cc(Br)ccc2oc1=O
Storage condition room temp

 Safety Information

Hazard Codes Xi: Irritant;
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2932209090

 Synthetic Route

 Customs

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

 6-bromocoumarin-3-carboxylic acidBioassay

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Name: Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensit...
Source: ChEMBL
Target: G-protein coupled receptor 35
External Id: CHEMBL4042614
Name: Agonist activity at GPR35 in human HT-29 cells in presence of antagonist ML-145 by DM...
Source: ChEMBL
Target: G-protein coupled receptor 35
External Id: CHEMBL4042615
Name: Agonist activity at GPR35 in human HT-29 cells by DMR assay
Source: ChEMBL
Target: G-protein coupled receptor 35
External Id: CHEMBL4042613
Name: Selectivity ratio of IC50 for NTD-deleted GluN1/NTD-deleted GluN2D receptor (unknown ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2343346
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
Source: 15621
Target: G protein-activated inward rectifier potassium channel 2
External Id: VANDERBILT_HTS_GIRK2_MPD
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
Name: Negative allosteric modulation of GluN2D receptor (unknown origin) expressed in xenop...
Source: ChEMBL
Target: Glutamate receptor ionotropic, NMDA 2D
External Id: CHEMBL4309007
Name: Negative allosteric modulation of GluN2C receptor (unknown origin) expressed in xenop...
Source: ChEMBL
Target: Glutamate receptor ionotropic, NMDA 2C
External Id: CHEMBL4309006
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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 Synonyms

6-bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid
6-Bromochromon-3-carboxylic acid
6-Bromo-2-oxo-2H-chromene-3-carboxylic acid 6-Bromo-3-carboxycoumarin
6-bromo-2-oxo-2Hchromene-3-carboxylic acid
MFCD00047640
6-Bromocoumarin-3-carboxylic acid
6-Bromocoumarin-3-carboxylicAcid
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