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BAL-0028

CAT: 1568-C01987-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01987-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2842012-69-3
SKU
C01987-5mg
Target
NLRP3
Applications
Immunology & Inflammation
Additionnal Information
BAL-0028 (Compound 3), which belongs to the indazole class is an inhibitor of NLRP3 activation with an IC50 value of 25 nM. BAL-0028 binds tightly to the NACHT domain of NLRP3, with KD values ranging from 104 to 123 nM. BAL-0028 also exhibits anti-inflammatory activity.

Chemical Information

N-((1H-Indazol-7-yl)methyl)-2-ethoxy-3'-fluoro-N-methyl-[1,1'-biphenyl]-4-carboxamide
CAS Number2842012-69-3
PubChem CID165385399
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
Molecular FormulaC24H22FN3O2
Molecular Weight403.4
XLogP4.6
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity577
SMILES
CCOC1=C(C=CC(=C1)C(=O)N(C)CC2=CC=CC3=C2NN=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C24H22FN3O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15H2,1-2H3,(H,26,27)
InChIKey
VTZLXMQBXAOBJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((1H-Indazol-7-yl)methyl)-2-ethoxy-3'-fluoro-N-methyl-[1,1'-biphenyl]-4-carboxamide
CAS: 2842012-69-3
CID: 165385399
Formula: C24H22FN3O2
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass403.16960512
Monoisotopic Mass403.16960512
Topological Polar Surface Area58.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity577
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
E1970-25mgBAL-0028
MBS3844794-01RD3-0028
T131385-01Compound N002-0028
T131163-01Compound N088-0028
MBS5796210Compound N039-0028
A20348-1RD3-0028 1mg
GTR19196788-01PD 142505-0028
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