5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
Synonym(s):5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
- CAS NO.：877636-42-5
- Empirical Formula: C17H11N3O6S
- Molecular Weight: 385.35
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-10-29 15:43:00
![5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one Structural](https://img.chemicalbook.in/CAS/20200119/GIF/877636-42-5.gif)
What is 5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one?
Description
ML-221 is an antagonist of the G protein-coupled receptor (GPCR) APJ (IC50 = 4.8 μM). It is selective for APJ over the angiotensin II type 1 (AT1) receptor (IC50 = >78 μM). ML-221 antagonizes apelin 13-induced activation of APJ in cAMP and β-arrestin recruitment assays (IC50s = 0.7 and 1.75 μM, respectively). It inhibits proliferation and angiogenesis in Mz-ChA-1 cholangiocarcinoma cells when used at concentrations ranging from 5 to 15 μM. In vivo, ML-221 (150 μg/kg) reduces tumor growth in a Mz-ChA-1 mouse xenograft model. Intrathecal injection of ML-221 (10 μg per animal) reduces mechanical allodynia and heat hyperalgesia induced by chronic constriction injury (CCI) of the sciatic nerve in rats. ML-221 also inhibits pathological angiogenesis and enhances normal vessel recovery in retinal ischemic regions in a mouse model of oxygen-induced retinopathy.
The Uses of 5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
ML 221 is a functional antagonist of the apelin (APJ) receptor which is shown to treat or mediate the homeostasis of the cardiovascular system.
Definition
ChEBI: 4-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester is a nitrobenzoic acid.
Storage
Store at +4°C
Properties of 5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
| Boiling point: | 624.1±55.0 °C(Predicted) |
| Density | 1.54±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,2-8°C |
| solubility | DMSO: soluble5mg/mL, clear (warmed) |
| pka | 0.30±0.33(Predicted) |
| form | powder |
| color | white to beige |
Safety information for 5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
New Products
Cyclopropane-1,1-dicarboxylic acid Cefuroxime EP Impurity-A N-Nitroso hydroxy Cetrizine EP Impurity-A Noradrenaline EP Impurity D/Noradrenaline Methyl Ether Cetirizine EP Impurity A/Cetirizine CBHP Impurity Lantanoprost rc B Clidinium Bromide Impurity tert-Butyl (2S)-[1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate 4-amino-2-fluoro-N- methylbenzamide 5-Chloro-3- Methyl -1,3-2-benzoxazol-2(3H)-one N-(2-chloropyrimidin-4-yl)-N,2,3- trimethyl-2H- indazol 6-amine N-Boc-1,4-butanediamine 4-Bromo-2-fluoro-N-methylbenzamide valeronitrile 3-chlorobenzyl cyanide 3,4 Dimethoxy Benzylcyanide 3,4 Diethoxy Benzylcyanide 2-Chloro Benzylcyanide 3-Hydroxypropionitrile 5-azidovalericacid 6,6'-bis(difluoromethoxy)-2,2'-bis((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H,1'H-5,5'-bibenzo[d]imidazole (1-((2'-(2-((1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methyl)-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol (1-((2'-(1-((1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methyl)-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol (4-Methoxyphenyl) hydrazine HydrochlorideRelated products of tetrahydrofuran
You may like
-
ML221 >95% CAS 877636-42-5View Details
877636-42-5 -
ML221 CAS 877636-42-5View Details
877636-42-5 -
4-Hydroxy-6-methyl-1-(4-methylphenyl)-2naphthalenecarboxylic acid 98+View Details
101894-09-1 -
4-(6-HYDROXYHEXYLOXY)BENZOIC ACID 83883-25-4 98+View Details
83883-25-4 -
39973-47-2 NA 98+View Details
39973-47-2 -
2357109-89-6 98+View Details
2357109-89-6 -
39973-47-2 NA 98+View Details
39973-47-2 -
2357109-89-6 98+View Details
2357109-89-6