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ER21355

CAT: 0931-T11220-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11220-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150452-18-9
Target
PDE, Others
Related Pathways
Others, Metabolism
Bioactivity
ER21355, utilized for the treatment of prostatic diseases, acts as a phosphodiesterase 5 (PDE5) inhibitor.
Smiles
N(CC=1C=C2C(=CC1)OCO2)C=3C4=C(N=C(N3)N5CCC(C(O)=O)CC5)C=CC(Cl)=C4
Molecular Formula
C22H21ClN4O4
Molecular Weight
440.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(6-Chloro-4-(3,4-methylenedioxybenzyl)aminoquinazolin-2-yl)piperidine-4-carboxylic acid
CAS Number150452-18-9
PubChem CID5311486
IUPAC Name1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]piperidine-4-carboxylic acid
Molecular FormulaC22H21ClN4O4
Molecular Weight440.9
XLogP4.3
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity635
SMILES
C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)
InChIKey
QUUJQFQTLSFCKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-Chloro-4-(3,4-methylenedioxybenzyl)aminoquinazolin-2-yl)piperidine-4-carboxylic acid
CAS: 150452-18-9
CID: 5311486
Formula: C22H21ClN4O4
MW: 440.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.9
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass440.1251329
Monoisotopic Mass440.1251329
Topological Polar Surface Area96.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity635
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

Alternative Products

CatalogName
MBS3844657-01ER21355
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A20208-5ER21355 5mg
A20208-100ER21355 100mg
A20208-10ER21355 10mg
HY-101826A-01ER21355 (hydrochloride)
A20208-25ER21355 25mg
A20208-1ER21355 1mg

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