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T6167923

CAT: 1568-C18352-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C18352-02Size:25 mg
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CAS Number
2437475-16-4
SKU
C18352-5mg
Target
MyD88
Applications
Immunology & Inflammation
Smiles
BrC1=CC (S (=O) (N2CCN (C (N[C@H] (C3=CC=CS3) C) =O) CC2) =O) =CC=C1
Molecular Formula
C17H20BrN3O3S2
Additionnal Information
T6167923 is a selective MyD88-dependent signaling pathway inhibitor that directly interacts with the Toll/IL-1 receptor (TIR) domain of MyD88, preventing its homodimerization. This compound demonstrates inhibitory effects on NF-κB-mediated Staphylococcus enterotoxin AP (SEAP) activity and exhibits anti-inflammatory properties, with IC50 values of 2.7 μM (IFN-γ), 2.9 μM (IL-1β), 2.66 μM (IL-6), and 2.66 μM (TNF-α) .

Chemical Information

CID 25648555
CAS Number2437475-16-4
PubChem CID25648555
IUPAC Name4-(3-bromophenyl)sulfonyl-N-[(1S)-1-thiophen-2-ylethyl]piperazine-1-carboxamide
Molecular FormulaC17H20BrN3O3S2
Molecular Weight458.4
XLogP2.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity591
SMILES
C[C@@H](C1=CC=CS1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C17H20BrN3O3S2/c1-13(16-6-3-11-25-16)19-17(22)20-7-9-21(10-8-20)26(23,24)15-5-2-4-14(18)12-15/h2-6,11-13H,7-10H2,1H3,(H,19,22)/t13-/m0/s1
InChIKey
PNTQVMBKHCOLQD-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of CID 25648555
CAS: 2437475-16-4
CID: 25648555
Formula: C17H20BrN3O3S2
MW: 458.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass457.01295
Monoisotopic Mass457.01295
Topological Polar Surface Area106 Ų
Heavy Atom Count26
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5753995T6167923
M33136-01T6167923 B

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