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MD2-TLR4-IN-1

CAT: 0957-S0139-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S0139-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2249801-12-3
Target
TLR
Applications
Immunology & Inflammation
Smiles
C1=CC (=C (C (=C1) Cl) C (=O) NC2=CC3=C (C=C2) NN=C3C4=CC5=C (C=C4) NC=C5) Cl
Molecular Formula
C22H14Cl2N4O
Additionnal Information
MD2-TLR4-IN-1 (Compound 22m) is a potent inhibitor of myeloid differentiation protein 2/toll-like receptor 4 (MD2-TLR4) . MD2-TLR4-IN-1 (compound 22m) inhibits lipopolysaccharide (LPS) -induced expression of tumor necrosis factor alpha (TNF-α) and interleukin-6 (IL-6) in macrophages with IC50 of 0.89 μM and 0.53 μM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

MD2-Tlr4-IN-1
CAS Number2249801-12-3
PubChem CID138454798
IUPAC Name2,6-dichloro-N-[3-(1H-indol-5-yl)-1H-indazol-5-yl]benzamide
Molecular FormulaC22H14Cl2N4O
Molecular Weight421.3
XLogP5.4
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity597
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC5=C(C=C4)NC=C5)Cl
InChI
InChI=1S/C22H14Cl2N4O/c23-16-2-1-3-17(24)20(16)22(29)26-14-5-7-19-15(11-14)21(28-27-19)13-4-6-18-12(10-13)8-9-25-18/h1-11,25H,(H,26,29)(H,27,28)
InChIKey
AZPDJGLJPDRCDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MD2-Tlr4-IN-1
CAS: 2249801-12-3
CID: 138454798
Formula: C22H14Cl2N4O
MW: 421.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.3
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass420.0544665
Monoisotopic Mass420.0544665
Topological Polar Surface Area73.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity597
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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Alternative Products

CatalogName
BA6304-1MD2-TLR4-IN-1
A18452-200MD2-TLR4-IN-1 200mg
A18452-25MD2-TLR4-IN-1 25mg
A18452-10MD2-TLR4-IN-1 10mg
A18452-100MD2-TLR4-IN-1 100mg
A18452-50MD2-TLR4-IN-1 50mg
A18452-5MD2-TLR4-IN-1 5mg
A18452-1MD2-TLR4-IN-1 1mg
T8050-30ETLR4/MD2 Complex (Toll-like Receptor 4/MD2 Complex, TLR4-MD2-Complex, TLR4/MD2, CD284/MD2) (PE)
A18452-10mM-DMD2-TLR4-IN-1 10mM * 1mL in DMSO

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