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LFM-A13

CAT: 0013-GTR19272747-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272747-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LFM-A13 is a highly selective inhibitor of the non-receptor tyrosine kinase BTK (Bruton's tyrosine kinase) (IC50 = 2.5 μM) . It irreversibly severs the downstream signaling network of the B-cell receptor (BCR) by targeted binding to the BTK kinase catalytic domain, exhibiting excellent anti-leukemic and immunomodulatory effects in models of acute/chronic lymphocytic leukemia and severe autoimmune diseases.
CAS Number
62004-35-7
Purity
99.50% (May vary between batches)
Smiles
N#CC (C (=O) NC1=CC (Br) =CC=C1Br) =C (O) C
Molecular Formula
C11H8Br2N2O2
Molecular Weight
360
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide

See also: Lfm-A13 (annotation moved to).

CAS Number62004-35-7
PubChem CID54686938
IUPAC Name2-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
CC(=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)
InChIKey
UVSVTDVJQAJIFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide
CAS: 62004-35-7
CID: 54686938
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 Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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