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XMD-12

CAT: 0013-GTR19208217-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208217-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XMD-12 (Aurora-IN-1) is a potent, small-molecule inhibitor of Aurora kinases A, B, and C with IC50 values of 5.6, 18.4, and 24.6 nM, respectively. This compound is a valuable research tool for studying mitotic regulation and has been utilized in both cellular and in vivo models of cancer to investigate Aurora kinase function and therapeutic potential.
CAS Number
1234481-08-3
Field of Research
Cell Biology, Epigenetics & Chromatin
Purity
99.94% (May vary between batches)
Smiles
O=C1C=2C=CC=CC2N (C3=NC (=NC=C3N1C) NC4=CC=C (C=C4) N5CCC (O) CC5) C
Molecular Formula
C24H26N6O2
Molecular Weight
430.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((4-(4-Hydroxypiperidin-1-Yl)phenyl)amino)-5,11-Dimethyl-5h-Benzo[e]pyrimido [5,4-B][1,4]diazepin-6(11h)-One

2-[4-(4-hydroxy-1-piperidinyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone is a member of piperidines.

CAS Number1234481-08-3
PubChem CID54592204
IUPAC Name2-[4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
Molecular FormulaC24H26N6O2
Molecular Weight430.5
XLogP3.2
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity648
SMILES
CN1C2=CC=CC=C2C(=O)N(C3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O)C
InChI
InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)
InChIKey
DFQAJLQXPSPNJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-(4-Hydroxypiperidin-1-Yl)phenyl)amino)-5,11-Dimethyl-5h-Benzo[e]pyrimido [5,4-B][1,4]diazepin-6(11h)-One
CAS: 1234481-08-3
CID: 54592204
Formula: C24H26N6O2
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass430.21172409
Monoisotopic Mass430.21172409
Topological Polar Surface Area84.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity648
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

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