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MBCQ

CAT: 0804-HY-114672-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114672-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MBCQ is a potent and selective cGMP-specific phosphodiesterase (PDE V; PDE5) inhibitor with an IC50 of 19 nM. MBCQ lacks inhibitory activity toward other PDE isozymes (all IC50s>100 μM) . MBCQ dilates coronary arteries via specific inhibition of cGMP-PDE[1][2][3].
CAS Number
150450-53-6
Product Name Alternative
SMP 114
UNSPSC
12352005
Hazard Statement
H413
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/mbcq.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ClC1=CC2=C(N=CN=C2NCC3=CC4=C(C=C3)OCO4)C=C1
Molecular Formula
C16H12ClN3O2
Molecular Weight
313.74
Precautions
H413
References & Citations
[1]Y Takase, et al. Cyclic GMP phosphodiesterase inhibitors. 2. Requirement of 6-substitution of quinazoline derivatives for potent and selective inhibitory activity. J Med Chem. 1994 Jun 24;37 (13) :2106-11.|[2]Jeffery D MacPherson, et al. Inhibition of phosphodiesterase 5 selectively reverses nitrate tolerance in the venous circulation J Pharmacol Exp Ther. 2006 Apr;317 (1) :188-95.|[3]Takeharu Kaneda, et al. Lack of cyclic nucleotide regulation of MBCQ-induced relaxation of rat ileal smooth muscle. J Smooth Muscle Res. 2003 Jun;39 (3) :47-54.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE1; PDE2; PDE3; PDE4; PDE5

Chemical Information

N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-quinazolinamine is a member of quinazolines.

CAS Number150450-53-6
PubChem CID6610310
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74
XLogP3.8
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity386
SMILES
C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C16H12ClN3O2/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-14-15(5-10)22-9-21-14/h1-6,8H,7,9H2,(H,18,19,20)
InChIKey
CNODHOSDWZLJGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
CAS: 150450-53-6
CID: 6610310
Formula: C16H12ClN3O2
MW: 313.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.74
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass313.0618043
Monoisotopic Mass313.0618043
Topological Polar Surface Area56.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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