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DRI-C21045

CAT: 0931-T11096-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T11096-02Size:10 mg
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CAS Number
2101765-81-3
Target
NF-κB, TNF
Related Pathways
NF-κB, Apoptosis
Purity
0.981
Bioactivity
Dri-c21045 showed concentration-dependent inhibition of NF-kB activation and all CD40L induced by B cell proliferation with IC50 of 17.1 μM and 4.5 μM, respectively. Dri-c21045 is an effective selective inhibitor of CD40-CD40L synergistic stimulator protein-protein interaction (PPI) with IC50 of 0.17 μM.
Smiles
COC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cccc2cccc(c12)S(O)(=O)=O
Molecular Formula
C32H24N2O7S
Molecular Weight
580.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(4'-(4-(Methoxycarbonyl)benzamido)-[1,1'-biphenyl]-4-carboxamido)naphthalene-1-sulfonic acid
CAS Number2101765-81-3
PubChem CID129275747
IUPAC Name8-[[4-[4-[(4-methoxycarbonylbenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
Molecular FormulaC32H24N2O7S
Molecular Weight580.6
XLogP5.1
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1050
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC5=C4C(=CC=C5)S(=O)(=O)O
InChI
InChI=1S/C32H24N2O7S/c1-41-32(37)25-14-12-23(13-15-25)30(35)33-26-18-16-21(17-19-26)20-8-10-24(11-9-20)31(36)34-27-6-2-4-22-5-3-7-28(29(22)27)42(38,39)40/h2-19H,1H3,(H,33,35)(H,34,36)(H,38,39,40)
InChIKey
BZAWLSZPOBGURT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4'-(4-(Methoxycarbonyl)benzamido)-[1,1'-biphenyl]-4-carboxamido)naphthalene-1-sulfonic acid
CAS: 2101765-81-3
CID: 129275747
Formula: C32H24N2O7S
MW: 580.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight580.6
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass580.13042228
Monoisotopic Mass580.13042228
Topological Polar Surface Area147 Ų
Heavy Atom Count42
Formal Charge0
Complexity1050
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