Name: Name:3(2H)-Pyridazinone, 6-[4-(difluoromethoxy)-3-methoxyphenyl]-
Brand: Angene
SKU: AG00064I
Rating: 90 (10 reviews)

Catalog Number:

AG00064I

Chemical Name:

3(2H)-Pyridazinone, 6-[4-(difluoromethoxy)-3-methoxyphenyl]-

CAS Number:

101975-10-4

Molecular Formula:

C12H10F2N2O3

Molecular Weight:

268.2162

MDL Number:

MFCD00867059

IUPAC Name:

3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one

InChI:

InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)

InChI Key:

HJMQDJPMQIHLPB-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC(F)F)c1ccc(=O)[nH]n1

UNII:

TQ358GWH6Y

Complexity:

398

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.22g/mol

Monoisotopic Mass:

268.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Title	Journal
Design, synthesis, and pharmacological evaluation of N-acylhydrazones and novel conformationally constrained compounds as selective and potent orally active phosphodiesterase-4 inhibitors.	Journal of medicinal chemistry 20120913
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Recent advances on phosphodiesterase 4 inhibitors for the treatment of asthma and chronic obstructive pulmonary disease.	Journal of medicinal chemistry 20080925
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
Structural basis for the activity of drugs that inhibit phosphodiesterases.	Structure (London, England : 1993) 20041201
Identification of purine inhibitors of phosphodiesterase 7 (PDE7).	Bioorganic & medicinal chemistry letters 20040607
Sertoli cell junctional proteins as early targets for different classes of reproductive toxicants.	Reproductive toxicology (Elmsford, N.Y.) 20040501
Zardaverine and aerosolised iloprost in a model of acute respiratory failure.	The European respiratory journal 20030801
Synthesis and structure-activity relationships of cis-tetrahydrophthalazinone/pyridazinone hybrids: a novel series of potent dual PDE3/PDE4 inhibitory agents.	Journal of medicinal chemistry 20030508
Crystal structure of phosphodiesterase 4D and inhibitor complex(1).	FEBS letters 20021023
Novel selective PDE4 inhibitors. 1. Synthesis, structure-activity relationships, and molecular modeling of 4-(3,4-dimethoxyphenyl)-2H-phthalazin-1-ones and analogues.	Journal of medicinal chemistry 20010802
Evidence that the anti-spasmogenic effect of the beta-adrenoceptor agonist, isoprenaline, on guinea-pig trachealis is not mediated by cyclic AMP-dependent protein kinase.	British journal of pharmacology 20010801