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MLN8054

CAT: 1410-M16315-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M16315-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, ATP-competitive, orally active Aurora A kinase inhibitor with IC50 of 4 nM.
CAS Number
869363-13-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
476.862
Molecular Formula
C25H15ClF2N4O2
Notes
Research use only, not for human use.
Receptor
AuroraA|AuroraB|CK2|Lck|PKA

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
HY-10180-01MLN8054
HY-10180RMLN8054 (Standard)

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