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LFM-A13

CAT: 0957-S7734-02Size: 50 mgDry Ice: YesHazardous: No
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CAT#:0957-S7734-02Size:50 mg
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Description
LFM-A13 is a specific Bruton's tyrosine kinase (BTK) inhibitor with IC50 of 2.5 μM, >100-fold selectivity over other protein kinases including JAK1, JAK2, HCK, EGFR, and IRK.
CAS Number
244240-24-2
Target
BTK
Activity
Protein Tyrosine Kinase
Molecular Formula
C11H8Br2N2O2
Storage Conditions
2 years -80 in solvent

Chemical Information

Lfm-A13

inhibits Bruton's tyrosine kinase; structure in first source

CAS Number244240-24-2
PubChem CID54676905
IUPAC Name(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
Molecular FormulaC11H8Br2N2O2
Molecular Weight360.00
XLogP3.8
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity386
SMILES
C/C(=C(\C#N)/C(=O)NC1=C(C=CC(=C1)Br)Br)/O
InChI
InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-
InChIKey
UVSVTDVJQAJIFG-VURMDHGXSA-N
Chemical Structure
2D Structure
2D structure of Lfm-A13
CAS: 244240-24-2
CID: 54676905
Formula: C11H8Br2N2O2
MW: 360.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.00
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass359.89320
Monoisotopic Mass357.89525
Topological Polar Surface Area73.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B5952-10LFM-A13
MBS808161-01LFM A13

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