6-bromocoumarin-3-carboxylic acid
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 acidUBP608 is a potent N-Methyl-D-aspartate receptors (NMDARs) negative allosteric modulator. UBP608 has the potential for the research of neurological disorders[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-bromo-2-oxochromene-3-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| 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 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2932209090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 1 | |
CAS#:2199-90-8
CAS#:2033-24-1
CAS#:1761-61-1
CAS#:90-02-8
CAS#:25016-01-7
CAS#:89228-64-8
CAS#:82486-43-9
CAS#:76693-35-1
CAS#:141-82-2
CAS#:2199-94-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932209090 |
|---|---|
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: Safety information for 6-bromo-2-oxochromene-3-carboxylic acid: S22-S24/25. |
| Q: What is the molecular formula of 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: Molecular formula of 6-bromo-2-oxochromene-3-carboxylic acid is C10H5BrO4. |
| Q: What are the storage conditions for 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: Storage conditions for 6-bromo-2-oxochromene-3-carboxylic acid: room temp. |
| Q: What are the uses of 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: Main uses of 6-bromo-2-oxochromene-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]. |
| Q: What is the boiling point of 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: Boiling point of 6-bromo-2-oxochromene-3-carboxylic acid is 439ºC at 760mmHg. |
| Q: What are the downstream products of 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: Related downstream products(CAS) of 6-bromo-2-oxochromene-3-carboxylic acid: 2199-94-2. |
| Q: What is the SMILES notation of 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: SMILES notation of 6-bromo-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2cc(Br)ccc2oc1=O. |
| Q: What is the LogP of 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: LogP of 6-bromo-2-oxochromene-3-carboxylic acid is 2.25370. |
| Q: What is the CAS number of 6-bromo-2-oxochromene-3-carboxylic acid? |
| A: CAS number of 6-bromo-2-oxochromene-3-carboxylic acid is 2199-87-3. |
| Q: What English synonyms does 6-bromo-2-oxochromene-3-carboxylic acid have? |
| A: English synonyms of 6-bromo-2-oxochromene-3-carboxylic acid: 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. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |