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TIC10g

CAT: 0931-T88540-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88540-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
754998-88-4
Target
NF-κB, p38 MAPK, TLR
Related Pathways
NF-κB, Immunology/Inflammation, MAPK
Bioactivity
TIC10g is a dual inhibitor of Toll-like receptors 7 and 9 (TLR7 and TLR9), effectively suppressing the release of TNF-α mediated by TLR7 and TLR9 in mouse macrophages (with IC50 values of 14.5 μM and 6.5 μM, respectively) and in human B lymphocytes (with IC50 values of 7.69 μM and 11.5 μM, respectively) . TIC10g inhibits the activation of NF-κB and MAPK, exhibiting anti-inflammatory activity useful in treating conditions such as systemic lupus erythematosus and rheumatoid arthritis.
Smiles
N=1C=C(C=2C=CC=3OCOC3C2)N(C1NCC4=CC=C(OC)C=C4OC)C
Molecular Formula
C20H21N3O4
Molecular Weight
367.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxybenzyl)-1-methyl-1H-imidazol-2-amine
CAS Number754998-88-4
PubChem CID1096525
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
Molecular FormulaC20H21N3O4
Molecular Weight367.4
XLogP3.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity482
SMILES
CN1C(=CN=C1NCC2=C(C=C(C=C2)OC)OC)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H21N3O4/c1-23-16(13-5-7-17-19(8-13)27-12-26-17)11-22-20(23)21-10-14-4-6-15(24-2)9-18(14)25-3/h4-9,11H,10,12H2,1-3H3,(H,21,22)
InChIKey
AKQCUNWVVQYIIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxybenzyl)-1-methyl-1H-imidazol-2-amine
CAS: 754998-88-4
CID: 1096525
Formula: C20H21N3O4
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass367.15320616
Monoisotopic Mass367.15320616
Topological Polar Surface Area66.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity482
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

Related Products

CatalogName
T7001-01TIC10
T6705-01TIC10 Isomer

Alternative Products

CatalogName
HY-162649TIC10g

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