4-(4-Fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2-amine

Base Information

• Chemical Name: 4-(4-Fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2-amine
• CAS No.: 199864-87-4
• Molecular Formula: C17H16FN3
• Molecular Weight: 281.33
• UNII: 0JAU3P8OBM
• DSSTox Substance ID: DTXSID60941960
• Nikkaji Number: J1.127.921J
• Wikipedia: RS-127445
• Wikidata: Q44804
• Pharos Ligand ID: RSY4AYFN7K8G
• ChEMBL ID: CHEMBL473186
• Mol file: 199864-87-4.mol

Synonyms:2-amino-4-(4-fluoronaphth-1-yl)-6-isopropylpyrimidine;MT 500;MT-500;MT500 cpd;RS 127445;RS 27354;RS-127445;RS-27354;RS127445;RS27354

Chemical Property of 4-(4-Fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 4.13E-09mmHg at 25°C
• Boiling Point: 472.8°C at 760 mmHg
• Flash Point: 239.8°C
• PSA: 51.80000
• Density: 1.213
• LogP: 5.52470
• Storage Temp.: Desiccate at +4°C
• Solubility.: ≥31.8 mg/mL in DMSO; insoluble in H2O; ≥33.15 mg/mL in EtOH
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 281.13282569
• Heavy Atom Count: 21
• Complexity: 349

Purity/Quality:

98% min ^*data from raw suppliers

RS 127445 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC(=NC(=C1)C2=CC=C(C3=CC=CC=C32)F)N
• Description: RS 127445 is an orally bioavailable and potent antagonist of the serotonin (5-HT) receptor subtype 5-HT2B (Ki = 0.32 nM). It is selective for 5-HT2B over other 5-HT receptor subtypes (Ki = >3 μM for 5-HT1A, 5-HT1B, 5-HT2A, 5-HT2C, 5-HT3, 5-HT5, and 5-HT6). RS 127445 reduces contraction of rat isolated stomach fundus (pA2 = 9.5) and lowers intracellular increases in calcium (IC50 = 0.04 nM) induced by 5-HT . It also blocks (±)-α-methyl-5-HT-induced relaxation of isolated rat jugular veins (pA2 = 9.95). RS 127445 (1-30 mg/kg) reduces peristaltic frequency and fecal output in mice in a dose-dependent manner. Systemic administration of RS 127445 (0.16 mg/kg) reduces basal, but not cocaine-induced, dopamine outflow in the nucleus accumbens of rats and decreases hyperlocomotion induced by cocaine (Item Nos. ISO60176 | 16186 | 22165) or quinpirole.
• Uses: RS-127445 is a 5-HT2B receptor antagonist with modest activity against other 5-HT receptors. Selective 5-HT2B receptor antagonist