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MBCQ

CAT: 0013-GTR19156991-08Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156991-08Size:500 mg
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Description
MBCQ is an inhibitor of cGMP-specific phosphodiesterase PDE5.MBCQ, a selective PDE5 inhibitor, significantly decreased the EC (50) values for GTN-induced relaxation in both tolerant and nontolerant tissues, but with the greatest relative shift occurring in tolerant veins.
CAS Number
150450-53-6
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (318.74 mM)
Smiles
ClC1=CC2=C (N=CN=C2NCC3=CC=C (OCO4) C4=C3) C=C1
Molecular Formula
C16H12ClN3O2
Molecular Weight
313.74
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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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