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KF-31327

CAT: 0013-GTR19184257-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184257-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thioquinapiperifil dihydrochloride is a potent and selective non-competitive PDE-5 inhibitor with an IC50 of 0.074 nM. This investigational compound is used in biochemical research to study PDE5 function and signal transduction pathways in both cellular and animal models of erectile dysfunction and pulmonary hypertension.
CAS Number
204077-66-7
Product Name Alternative
KF 31327, KF31327, KF-31327, Thioquinapiperifil, Thioquinapiperifil Dihydrochloride, PDE5
Field of Research
Metabolism Research
Purity
98.73% (May vary between batches)
Solubility
DMSO:112.5 mg/mL (231.93 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (8.25 mM)
Smiles
Cl.Cl.CCn1c2cc3ncnc (NCc4ccccc4N4CCC (CO) CC4) c3cc2[nH]c1=S
Molecular Formula
C24H29ClN6OS
Molecular Weight
485.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thioquinapiperifil dihydrochloride
CAS Number204077-66-7
PubChem CID9828075
IUPAC Name3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
Molecular FormulaC24H30Cl2N6OS
Molecular Weight521.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity644
SMILES
CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4N5CCC(CC5)CO)NC1=S.Cl.Cl
InChI
InChI=1S/C24H28N6OS.2ClH/c1-2-30-22-12-19-18(11-20(22)28-24(30)32)23(27-15-26-19)25-13-17-5-3-4-6-21(17)29-9-7-16(14-31)8-10-29;;/h3-6,11-12,15-16,31H,2,7-10,13-14H2,1H3,(H,28,32)(H,25,26,27);2*1H
InChIKey
YWGNFHIWAHNADT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thioquinapiperifil dihydrochloride
CAS: 204077-66-7
CID: 9828075
Formula: C24H30Cl2N6OS
MW: 521.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass520.1578862
Monoisotopic Mass520.1578862
Topological Polar Surface Area109 Ų
Heavy Atom Count34
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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