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Aurora-A ligand 1

CAT: 0931-T204142-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204142-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2541626-73-5
Target
Ligands for Target Protein for PROTAC, Aurora Kinase
Related Pathways
Chromatin/Epigenetic, PROTAC, Cell Cycle/Checkpoint
Bioactivity
Aurora-A ligand 1 is a potent and selective inhibitor of Aurora-A, exhibiting a dissociation constant (Kd) of 0.85 nM. It serves as a target protein ligand [PROTAC target protein ligand] in the development of PROTAC Aurora-A degraders with antitumor activity. Additionally, Aurora-A ligand 1 is utilized in the synthesis of HLB-0532259, which exhibits antitumor effects against neuroblastoma.
Smiles
O=C(O)C1=CC=C(C=C1)NC=2N=CC=3C=C(C(=O)N(C)C)N(C3N2)C4CCCC4
Molecular Formula
C21H23N5O3
Molecular Weight
393.439
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aurora-A ligand 1
CAS Number2541626-73-5
PubChem CID155369393
IUPAC Name4-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid
Molecular FormulaC21H23N5O3
Molecular Weight393.4
XLogP3
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity601
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C21H23N5O3/c1-25(2)19(27)17-11-14-12-22-21(23-15-9-7-13(8-10-15)20(28)29)24-18(14)26(17)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,28,29)(H,22,23,24)
InChIKey
QOYBWPMLFXVESV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurora-A ligand 1
CAS: 2541626-73-5
CID: 155369393
Formula: C21H23N5O3
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass393.18008961
Monoisotopic Mass393.18008961
Topological Polar Surface Area100 Ų
Heavy Atom Count29
Formal Charge0
Complexity601
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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Alternative Products

CatalogName
HY-168440-01Aurora-A ligand 1
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HY-175526Aurora kinase ligand-1
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abx133082-01Aurora B (Aurora B) Antibody
1474Aurora kinase A Adenovirus (Ad-Aurora-A)
048717-01Aurora Kinases (Aurora A/B/C) discontinued
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