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Imazodan

CAS No.:
84243-58-3
Catalog Number:
AG00350J
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
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Product Description
Catalog Number:
AG00350J
Chemical Name:
Imazodan
CAS Number:
84243-58-3
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
MDL Number:
MFCD00867109
IUPAC Name:
3-(4-imidazol-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9H,5-6H2,(H,16,18)
InChI Key:
VXMYWVMXSWJFCV-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1ccc(cc1)n1cncc1
UNII:
6PVQ5VQW24
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.101g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Defining the binding site of levosimendan and its analogues in a regulatory cardiac troponin C-troponin I complex. Biochemistry 20080715
Phenotype-based screening of mechanistically annotated compounds in combination with gene expression and pathway analysis identifies candidate drug targets in a human squamous carcinoma cell model. Journal of biomolecular screening 20060801
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Mechanisms of leptin secretion from white adipocytes. American journal of physiology. Cell physiology 20020701
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. The Journal of biological chemistry 20020419
Cardiovascular effects of NSP-804 and NSP-805, novel cardiotonic agents with vasodilator properties. Journal of cardiovascular pharmacology 19930601
3,4-Dihydroquinolin-2(1H)-ones as combined inhibitors of thromboxane A2 synthase and cAMP phosphodiesterase. Journal of medicinal chemistry 19920221
Cardiotonic agents. 9. Synthesis and biological evaluation of a series of (E)-4,5-dihydro-6-[2-[4-(1H-imidazol-1-yl)phenyl]ethenyl]-3 (2H)-pyridazinones: a novel class of compounds with positive inotropic, antithrombotic, and vasodilatory activities for the treatment of congestive heart failure. Journal of medicinal chemistry 19890201
Properties