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SR12343

CAT: 0931-T9055-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T9055-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055101-86-3
Target
IκB/IKK, NF-κB
Related Pathways
NF-κB
Purity
0.9991
Bioactivity
SR12343 is a small molecule inhibitor of the IKK/NF-κB signaling pathway that functions as a NEMO-binding domain (NBD) mimetic. SR12343 inhibits NF-κB activation with an IC50 of 37.02 μM by specifically blocking the critical IKKβ-NEMO interaction, reduces pulmonary inflammation in models, and is suitable for research into inflammatory and degenerative diseases.
Smiles
O=C(NCCC=1C=CC=C(Br)C1)CNC2=NC=C(Cl)C=C2
Molecular Formula
C15H15BrClN3O
Molecular Weight
368.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-(3-bromophenyl)ethyl]-2-[(5-chloropyridin-2-yl)amino]acetamide
CAS Number2055101-86-3
PubChem CID124117414
IUPAC NameN-[2-(3-bromophenyl)ethyl]-2-[(5-chloro-2-pyridinyl)amino]acetamide
Molecular FormulaC15H15BrClN3O
Molecular Weight368.65
XLogP3.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity332
SMILES
C1=CC(=CC(=C1)Br)CCNC(=O)CNC2=NC=C(C=C2)Cl
InChI
InChI=1S/C15H15BrClN3O/c16-12-3-1-2-11(8-12)6-7-18-15(21)10-20-14-5-4-13(17)9-19-14/h1-5,8-9H,6-7,10H2,(H,18,21)(H,19,20)
InChIKey
PEOFCAIUELALCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(3-bromophenyl)ethyl]-2-[(5-chloropyridin-2-yl)amino]acetamide
CAS: 2055101-86-3
CID: 124117414
Formula: C15H15BrClN3O
MW: 368.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.65
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass367.00870
Monoisotopic Mass367.00870
Topological Polar Surface Area54 Ų
Heavy Atom Count21
Formal Charge0
Complexity332
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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