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AT-112

CAT: 0804-HY-101045-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101045-01Size:1 mg
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Description
AT-112 is a ketotanserin analogue. AT-112 has hemodynamic effects. AT-112 significantly reduces portal vein branch blood flow and portal vein pressure. AT-112 can be used to study the pathogenesis of portal hypertension[1].
CAS Number
139047-55-5
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/at-112.html
Solubility
10 mM in DMSO
Smiles
O=C1NC2=C(C=CC=C2)C3=NC(CN4CCN(C5=CC=CC=C5)CC4)CN13
Molecular Formula
C21H23N5O
Molecular Weight
361.44
References & Citations
[1]Lin HC, et al The hemodynamic effects of AT-112, an analog of ketanserin, in portal hypertensive rats. Pharmacology. 1997 Jan;54 (1) :16-23.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one

2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one is a member of piperazines.

CAS Number139047-55-5
PubChem CID4367545
IUPAC Name2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
Molecular FormulaC21H23N5O
Molecular Weight361.4
XLogP2.5
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity723
SMILES
C1CN(CCN1CC2CN3C(=C4C=CC=CC4=NC3=O)N2)C5=CC=CC=C5
InChI
InChI=1S/C21H23N5O/c27-21-23-19-9-5-4-8-18(19)20-22-16(15-26(20)21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,22H,10-15H2
InChIKey
ALPFEYWIGFAARN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4-phenyl-1-piperazinyl)methyl]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-one
CAS: 139047-55-5
CID: 4367545
Formula: C21H23N5O
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass361.19026037
Monoisotopic Mass361.19026037
Topological Polar Surface Area51.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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