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LFM-A13

CAT: 0013-GTR19162519-09Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162519-09Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A highly specific inhibitor of BTK with Ki of 1.4 uM, IC50 of 17.2 uM; shows no activity against EGFR, IRK, JAK1, JAK3, or HCK; enhances the sensitivity to ceramide- or vincristine-induced apoptosis in BTK+ B-lineage leukemic cells; prolongs the median survival time of VPL-treated mice; also inhibits Plk3 with IC50 of 61 uM, prevented bipolar mitotic spindle assembly in human breast cancer cells and glioblastoma cells, delays tumor progression in MMTV/neu transgenic mouse model of HER2 positive breast cancer.
CAS Number
244240-24-2
Product Name Alternative
LFM A13 | LFM-A13 | LFM A13
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 42 mg/mL
Smiles
C/C (O) =C (C#N) /C (NC1=CC (Br) =CC=C1Br) =O
Molecular Formula
C11H8Br2N2O2
Molecular Weight
360.0014
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-Butenamide, 2-cyano-N- (2,5-dibromophenyl) -3-hydroxy-, (2Z) -

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

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