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MLN8054

CAT: 0013-GTR19171964-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171964-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MLN8054 is a highly selective small molecule inhibitor of Aurora A kinase, exhibiting potent activity with an IC50 of 4 nM. It is a valuable research tool for studying mitotic progression and has been utilized in both in vitro cellular assays and in vivo xenograft models to investigate oncology and cell cycle biology.
CAS Number
869363-13-3
Product Name Alternative
PKA, Inhibitor, Lck, inhibit, MLN 8054, MLN8054, MLN-8054, CaseinKinase, Casein Kinase, CK2, Aurora A, Aurora B, Aurora Kinase, AuroraKinase
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Metabolism Research, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.07% (May vary between batches)
Solubility
Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:88 mg/mL (184.54 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.92 mM)
Smiles
OC (=O) c1ccc (Nc2ncc3CN=C (c4cc (Cl) ccc4-c3n2) c2c (F) cccc2F) cc1
Molecular Formula
C25H15ClF2N4O2
Molecular Weight
476.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mln8054

4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid is a benzazepine.

CAS Number869363-13-3
PubChem CID11712649
IUPAC Name4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid
Molecular FormulaC25H15ClF2N4O2
Molecular Weight476.9
XLogP5.2
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity755
SMILES
C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
InChIKey
HHFBDROWDBDFBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mln8054
CAS: 869363-13-3
CID: 11712649
Formula: C25H15ClF2N4O2
MW: 476.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.9
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass476.0851598
Monoisotopic Mass476.0851598
Topological Polar Surface Area87.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity755
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

Alternative Products

CatalogName
A4114-5MLN8054
HY-10180RMLN8054 (Standard)

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