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MW181 dihydrochloride

CAT: 1410-M12431Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M12431Size:1 Each
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Description
MW181 (MW01-10-181SRM) is an isoform-selective, brain-permeable, and orally bioavailable small molecule inhibitor of p38α MAPK with Ki of 184 nM.
CAS Number
1628503-08-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
——
Molecular Formula
——
Notes
Research use only, not for human use.
Receptor
P38 MAPK

Chemical Information

N,N-Dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine dihydrochloride
CAS Number1628503-08-1
PubChem CID155895701
IUPAC NameN,N-dimethyl-6-naphthalen-1-yl-5-pyridin-4-ylpyridazin-3-amine;dihydrochloride
Molecular FormulaC21H20Cl2N4
Molecular Weight399.3
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity420
SMILES
CN(C)C1=NN=C(C(=C1)C2=CC=NC=C2)C3=CC=CC4=CC=CC=C43.Cl.Cl
InChI
InChI=1S/C21H18N4.2ClH/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18;;/h3-14H,1-2H3;2*1H
InChIKey
UBZFUTLOVWRXIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine dihydrochloride
CAS: 1628503-08-1
CID: 155895701
Formula: C21H20Cl2N4
MW: 399.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass398.1065020
Monoisotopic Mass398.1065020
Topological Polar Surface Area41.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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