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101975-10-4,MFCD00867059
Catalog No.:AA00061Q
101975-10-4 | 3(2H)-Pyridazinone, 6-[4-(difluoromethoxy)-3-methoxyphenyl]-
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5mg
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10mg
98.64%
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  • Technical Information
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Technical Information
Catalog Number:
AA00061Q
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
Properties
Computed Properties
 
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.066g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.22g/mol
Monoisotopic Mass:
268.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
6-(4-difluoromethoxy-3-methoxyphenyl)-3(2H)pyridazinone 
zardaverine 
Zardaverina [INN-Spanish] 
NCGC00016106-03 
NCGC00016106-05 
NCGC00016106-06 
NCGC00016106-07 
NCGC00016106-08 
NCGC00016106-09 
NCGC00016106-10 
NCGC00016106-11 
NCGC00016106-13 
NCGC00024963-01 
C12H10F2N2O3 
NCGC00024963-02 
NCGC00024963-03 
NCGC00024963-04 
NCGC00024963-05 
CC-35668 
CPD000449313 
HY-15485 
SAM001247053 
SBI-0051227.P002 
LS-171799 
6-(4-(Difluoromethoxy)-3-methoxyphenyl)-3(2H)-pyridazinone 
AB00513983 
EU-0101260 
FT-0631019 
W-5158 
Z 3003 
AB00513983-03 
C-16835 
J-000529 
SR-01000076204-1 
SR-01000076204-3 
TQ358GWH6Y 
SR-01000076204-5 
BRD-K37561857-001-04-9 
BRD-K37561857-001-06-4 
BRD-K37561857-001-13-0 
6-(4-difluoromethoxy-3-methoxy-phenyl)-3[2h]-pyridazinone 
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one 
6-[4-(difluoromethoxy)-3-methoxyphenyl]-2,3-dihydropyridazin-3-one 
6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-2H-pyridazin-3-one 
D0F0CS 
CID5723 
CHEMBL313842 
AR-1F5139 
C12-H10-F2-N2-O3 
A12550 
C066436 
102433-41-0 
ZAR 
6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3(2H)-one 
CHEBI:46548 
HJMQDJPMQIHLPB-UHFFFAOYSA-N 
6-(4-Difluoromethoxy-3-methoxyphenyl)-3(2H)-pyridazinone 
NCGC00016106-04 
zardaverine 
3(2H)-Pyridazinone,6-[4-(difluoromethoxy)-3-methoxyphenyl]- 
CAS-101975-10-4 
3(2H)-Pyridazinone, 6-[4-(difluoromethoxy)-3-methoxyphenyl]- [CAS] 
DSSTox_CID_22559 
DSSTox_RID_80048 
DSSTox_GSID_42559 
6-(4-(difluoromethoxy)-3-methoxyphenyl)pyridazin-3(2H)-one 
6-[4-(Difluoromethoxy)-3-methoxyphenyl]-3(2H)-pyridazinone 
SMR000449313 
SR-01000076204 
101975-10-4 
Zaradaverine 
1mkd 
1xor 
Tocris-1046 
ACMC-20ccb1 
AC1L1KZT 
AC1Q6BYY 
Prestwick0_000977 
Prestwick1_000977 
Prestwick2_000977 
Zardaverina 
Prestwick3_000977 
Lopac-Z-3003 
UPCMLD-DP159 
Lopac0_001260 
SCHEMBL13334 
BSPBio_001013 
BSPBio_001346 
KBioGR_000066 
KBioSS_000066 
MLS000758207 
Zardaverinum 
MLS001401422 
SPBio_002924 
BPBio1_001115 
DTXSID8042559 
SCHEMBL14810549 
UPCMLD-DP159:001 
UPCMLD-DP159:002 
BDBM14769 
CTK4A0496 
KBio2_000066 
Zardaverine [INN] 
KBio2_002634 
KBio2_005202 
KBio3_000131 
KBio3_000132 
3-pyridazinol, 6-[4-(difluoromethoxy)-3-methoxyphenyl]- 
6-(4-difluoromethoxy-3-methoxyphenyl)-3(2H)pyridazinone 
Bio2_000066 
Bio2_000546 
HMS1361D08 
HMS1571C15 
6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE 
HMS1791D08 
HMS1989D08 
HMS2051O09 
HMS2090L06 
HMS2098C15 
HMS2235H08 
HMS3267C08 
HMS3370L18 
HMS3393O09 
HMS3402D08 
Zardaverinum [INN-Latin] 
HMS3676C09 
HMS3715C15 
BCP06509 
ZINC9230249 
Tox21_110307 
4165AH 
BS0210 
MFCD00867059 
AKOS024456348 
Tox21_110307_1 
UNII-TQ358GWH6Y 
Zardaverine phosphodiesterase inhibitor 
CCG-100782 
CCG-205334 
CS-1011 
DB02918 
NC00032 
Zardaverine, phosphodiesterase inhibitor 
IDI1_033816 
NCGC00016106-01 
NCGC00016106-02 
Literature

Title: Design, synthesis, and pharmacological evaluation of N-acylhydrazones and novel conformationally constrained compounds as selective and potent orally active phosphodiesterase-4 inhibitors.

Journal: Journal of medicinal chemistry 20120913

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Recent advances on phosphodiesterase 4 inhibitors for the treatment of asthma and chronic obstructive pulmonary disease.

Journal: Journal of medicinal chemistry 20080925

Title: 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: Journal of biomolecular screening 20060801

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Structural basis for the activity of drugs that inhibit phosphodiesterases.

Journal: Structure (London, England : 1993) 20041201

Title: Identification of purine inhibitors of phosphodiesterase 7 (PDE7).

Journal: Bioorganic & medicinal chemistry letters 20040607

Title: Sertoli cell junctional proteins as early targets for different classes of reproductive toxicants.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20040501

Title: Zardaverine and aerosolised iloprost in a model of acute respiratory failure.

Journal: The European respiratory journal 20030801

Title: Synthesis and structure-activity relationships of cis-tetrahydrophthalazinone/pyridazinone hybrids: a novel series of potent dual PDE3/PDE4 inhibitory agents.

Journal: Journal of medicinal chemistry 20030508

Title: Crystal structure of phosphodiesterase 4D and inhibitor complex(1).

Journal: FEBS letters 20021023

Title: Novel selective PDE4 inhibitors. 1. Synthesis, structure-activity relationships, and molecular modeling of 4-(3,4-dimethoxyphenyl)-2H-phthalazin-1-ones and analogues.

Journal: Journal of medicinal chemistry 20010802

Title: 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.

Journal: British journal of pharmacology 20010801

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