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Chemical structure of MD2-TLR4-IN-1

GC36578

MD2-TLR4-IN-1

Also known as 2,6-dichloro-N-[3-(1H-indol-5-yl)-1H-indazol-5-yl]benzamide

MD2-TLR4-IN-1 (compound 22m) is an inhibitor of myeloid differentiation protein 2/toll-like receptor 4 (MD2-TLR4) complex, inhibiting lipopolysaccharides (LPS)-induced expression of tumor necrosis factor alpha (TNF-α) and interleukin-6 (IL-6) in macrophages with IC50 values of 0·89 μM and 0·53 μM, respectively

ChemicalCAS2249801-12-3MW421.28FormulaC22H14Cl2N4O
CAS number
2249801-12-3
Molecular weight
421.28
Formula
C22H14Cl2N4O
Solubility
DMSO： 83·33 mg/mL (197·80 mM)
InChIKey
AZPDJGLJPDRCDQ-UHFFFAOYSA-N
Catalogue number
GC36578
Brand
GLPBIO
Computed properties PubChem CID 138454798 · XLogP 5.4 · TPSA 73.6 Ų · H-bond donors 3
XLogP
5.4
TPSA
73.6 Ų
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
29

SMILES C1=CC(=C(C(=C1)Cl)C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC5=C(C=C4)NC=C5)Cl

Computed descriptors from PubChem (CID 138454798), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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