| Identification | Back Directory | [Name]
CHEMBRDG-BB 5280909 | [CAS]
89159-60-4 | [Synonyms]
ML-354
CHEMBRDG-BB 5280909
1-Methyl-5-nitro-3-phenyl-1H-indole-2-methanol
(1-METHYL-5-NITRO-3-PHENYL-1H-INDOL-2-YL)METHANOL
(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol(SALTDATA: FREE) | [Molecular Formula]
C16H14N2O3 | [MDL Number]
MFCD00593702 | [MOL File]
89159-60-4.mol | [Molecular Weight]
282.29 |
| Chemical Properties | Back Directory | [Melting point ]
178-179 °C(Solv: 1,4-dioxane (123-91-1)) | [Boiling point ]
544.0±50.0 °C(Predicted) | [density ]
1.29±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C | [solubility ]
≤2mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide | [form ]
powder | [pka]
14.47±0.10(Predicted) | [color ]
white to beige | [Water Solubility ]
H2O: 10mg/mL, clear
DMSO: 25mg/mL, clear | [InChI]
1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3 | [InChIKey]
GNJUKVGDCUKDLF-UHFFFAOYSA-N | [SMILES]
CN(C(CO)=C1C2=CC=CC=C2)C3=C1C=C([N+]([O-])=O)C=C3 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301 | [Precautionary statements ]
P301+P310 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
WGK 3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Description]
ML-354 is an indole-based, proteinase-activated receptor 4 (PAR4) antagonist (IC50 = 140 nM) that exhibits 71-fold selectivity for PAR4 over PAR1 (IC50 = 10 μM) in isolated human platelets. | [Uses]
ML-354 is a selective protease activated receptor 4 ( PAR-4) antagonist used for its antithrombotic effects. | [Biochem/physiol Actions]
ML354 is a potent and selective PAR4 (protease activated receptor-4) antagonist. | [IC 50]
140 nm | [storage]
Store at -20°C | [References]
[1]. wen, w., young, s., duvernay, m., schulte, m., nance, k., & melancon, b. et al. substituted indoles as selective protease activated receptor 4 (par-4) antagonists: discovery and sar of ml354. bioorganic & medicinal chemistry letters. 2014; 24(19): 4708-4713. |
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| Company Name: |
Sigma-Aldrich
|
| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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