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GLX481372

CAT: 0013-GTR19154262-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154262-02Size:250 mg
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Description
Novel potent and selective NADPH oxidase inhibitor, targeting Nox4 in TGFβ-induced lens epithelial to mesenchymal transition
CAS Number
1990478-58-4
Purity
>98%
Smiles
N1 (C ([H]) ([H]) C2=NC (N ([H]) [H]) =NC (N ([H]) C3C ([H]) =C ([H]) C (C ([H]) ([H]) [H]) =C (C ([H]) ([H]) [H]) C=3[H]) =N2) C ([H]) ([H]) C ([H]) ([H]) N (C2C ([H]) =C ([H]) C (C ([H]) ([H]) [H]) =C ([H]) C=2[H]) C ([H]) ([H]) C1 ([H]) [H]
Molecular Formula
C23H29N7
Molecular Weight
403.5233
Notes
For research use only.

Chemical Information

N2-(3,4-Dimethylphenyl)-6-((4-(p-tolyl)piperazin-1-yl)methyl)-1,3,5-triazine-2,4-diamine
CAS Number1990478-58-4
PubChem CID122473367
IUPAC Name2-N-(3,4-dimethylphenyl)-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
Molecular FormulaC23H29N7
Molecular Weight403.5
XLogP4.1
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity516
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=NC(=N3)NC4=CC(=C(C=C4)C)C)N
InChI
InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)
InChIKey
BZFYMFCKLUAOET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-(3,4-Dimethylphenyl)-6-((4-(p-tolyl)piperazin-1-yl)methyl)-1,3,5-triazine-2,4-diamine
CAS: 1990478-58-4
CID: 122473367
Formula: C23H29N7
MW: 403.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass403.24844395
Monoisotopic Mass403.24844395
Topological Polar Surface Area83.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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