Thioquinapiperifil
Basic information
- CAS
220060-39-9- Standard SMILES
CCn1c(=S)[nH]c2cc3c(NCc4ccccc4N4CCC(CO)CC4)ncnc3cc21- InChIKey
NMKUPEWPVORTPC-UHFFFAOYSA-N- Molecular formula
- C24H28N6OS
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.20453071
Overview
structure in first source
Names & identifiers
- Preferred name
- Thioquinapiperifil
- IUPAC
- 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione
- English name
- KF31327
- Molecular formula
- C24H28N6OS
- Molecular weight
- 448.59
Names & synonyms
Thioquinapiperifil220060-39-9KF-31327 free base91GSL5I3VO2H-Imidazo(4,5-g)quinazoline-2-thione, 3-ethyl-1,3-dihydro-8-(((2-(4-(hydroxymethyl)-1-piperidinyl)phenyl)methyl)amino)-2H-IMIDAZO[4,5-G]QUINAZOLINE-2-THIONE, 3-ETHYL-1,3-DIHYDRO-8-[[[2-[4-(HYDROXYMETHYL)-1-PIPERIDINYL]PHENYL]METHYL]AMINO]-RefChem:189644UNII-91GSL5I3VOSildenafil Impurity 353-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione3-ethyl-8-((2-(4-(hydroxymethyl)piperidin-1-yl)benzyl)amino)-1H-imidazo[4,5-g]quinazoline-2(3H)-thioneThioquinapiperfil
Show more names
KF31327Thioquinapiperifil (Standard)
SCHEMBL688130orb1701523orb3025029CHEMBL6070856DTXSID30431383MSK10847AKOS040747537DA-58533
Database identifiers
- CAS
220060-39-9- PubChem CID
- 9828076
- DTXSID
DTXSID30431383- ChEMBL
CHEMBL6070856- UNII
- 91GSL5I3VO
- Nikkaji
- J2.623.375E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 644
Physicochemical properties
- Boiling point
- 676.558 · 676.558±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.384 · 1.384±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.425 · 10.425±0.30(predicted)
- FDA UNII
- 91 GSL5I3VO · 91GSL5I3VO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesThioquinapiperifil (KF31327 free base), a potent, selective and non-competitive phosphodiesterase-5 (PDE-5, IC50 of 0.074 nM) inhibitor, is used for sexual enhancement study[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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