Basic information
- CAS
130636-43-0- Standard SMILES
Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O- InChIKey
OEBPANQZQGQPHF-UHFFFAOYSA-N- Molecular formula
- C19H27N5O5
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.20121898
Overview
Nifekalant is an amine.
Names & identifiers
- Preferred name
- Nifekalant
- IUPAC
- 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
- English name
- Nifekalant
- Molecular formula
- C19H27N5O5
- Molecular weight
- 405.45
Names & synonyms
nifekalant130636-43-05VZ7GZM43EDTXSID70483746-((2-((2-Hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyluracilnifekalantumRefChem:165783DTXCID3028348Nifekalant [INN]6-((2-((2-Hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dioneCHEMBL3608616-((2-((2-hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-uracil
Show more names
NIFEKALANT HCLNifekalant USP/EP/BPOEBPANQZQGQPHF-UHFFFAOYSA-N1-(3,4-dichlorophenyl)-3-hexylurea6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylami...6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinoneNIFEKALANT [6-((2-((2-HYDROXYETHYL)(3-(P-NITROPHENYL)PROPYL)AMINO)ETHYL)AMINO)-1,3-DIMETHYL-URACIL]
6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dioneNIFEKALANT HYDROCHLORIDE [JAN]NCGC00164637-01UNII-5VZ7GZM43E6-[(2-{(2-Hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dioneNIFEKALANT [MI]NIFEKALANT [WHO-DD]
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- Melting point
- 117.5 · 117.5-118.5°; mp 125-126° (Katakami, 1992)
- Boiling point
- 597.9 · 597.9±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 14.74 · 14.74±0.10(Predicted)
- CAS DataBase Reference
- 130636 · 130636-43-0(CAS DataBase Reference)
- FDA UNII
- 5 VZ7GZM43E · 5VZ7GZM43E
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Applications
UsesNifekalant (MS-551), a class III antiarrhythmic agent, is a IKr potassium channel blocker with an IC50 of 10 μM. Nifekalant can be used for refractory ventricular tachyarrhythmias research[1][2].
Upstream & downstream products
Downstream products
Suppliers34 total
济南百隆化学有限公司[email protected] · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinoway Industrial co., ltd.
Related reactions
2 records
Compound notes
Loading…