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EGR-1-IN-2

CAT: 0931-T200530-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200530-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152367-54-9
Target
TNF
Related Pathways
Apoptosis
Bioactivity
EGR-1-IN-2 (compound 2) is an EGR-1 inhibitor with anti-inflammatory properties. It inhibits the formation of the EGR-1-DNA complex in HaCaT cells induced by TNF α.
Smiles
OC1=CC=C2C=CC=CC2=C1C3=NNC(C4=CC=C(OC)C=C4)C3
Molecular Formula
C20H18N2O2
Molecular Weight
318.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Egr-1-IN-2
CAS Number152367-54-9
PubChem CID136239519
IUPAC Name1-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
Molecular FormulaC20H18N2O2
Molecular Weight318.4
XLogP4.2
Topological Polar Surface Area53.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity459
SMILES
COC1=CC=C(C=C1)C2CC(=NN2)C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C20H18N2O2/c1-24-15-9-6-14(7-10-15)17-12-18(22-21-17)20-16-5-3-2-4-13(16)8-11-19(20)23/h2-11,17,21,23H,12H2,1H3
InChIKey
QTUIYOWSYGRGCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egr-1-IN-2
CAS: 152367-54-9
CID: 136239519
Formula: C20H18N2O2
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass318.136827821
Monoisotopic Mass318.136827821
Topological Polar Surface Area53.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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