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Aurora Kinases-IN-4

CAT: 0931-T78753-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T78753-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2877011-84-0
Target
Aurora Kinase
Related Pathways
Cell Cycle/Checkpoint, Chromatin/Epigenetic
Bioactivity
Aurora Kinases-IN-4 (Compound 11c) is a covalent, ATP-competitive inhibitor of aurora kinase A with an IC50 value of 1.7 nM. It inhibits cell proliferation in SJSA-1, MDA-MB-231, A549, and HeLa cell lines with IC50 values of 4.27, 1.54, 3.08, and 6.99 μM, respectively. This compound is applicable in research concerning triple-negative breast cancer (TNBC) [1].
Smiles
N(C=1C2=C(N=C(N1)C3=CC=C(NC(C=C)=O)C=C3)C=C(C=C2)N4CCN(C)CC4)C5=NNC(C)=C5
Molecular Formula
C26H28N8O
Molecular Weight
468.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aurora Kinases-IN-4
CAS Number2877011-84-0
PubChem CID166517368
IUPAC NameN-[4-[7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]prop-2-enamide
Molecular FormulaC26H28N8O
Molecular Weight468.6
XLogP3.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity720
SMILES
CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)N4CCN(CC4)C)C5=CC=C(C=C5)NC(=O)C=C
InChI
InChI=1S/C26H28N8O/c1-4-24(35)27-19-7-5-18(6-8-19)25-28-22-16-20(34-13-11-33(3)12-14-34)9-10-21(22)26(30-25)29-23-15-17(2)31-32-23/h4-10,15-16H,1,11-14H2,2-3H3,(H,27,35)(H2,28,29,30,31,32)
InChIKey
VXYSKFCQDLEGDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aurora Kinases-IN-4
CAS: 2877011-84-0
CID: 166517368
Formula: C26H28N8O
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass468.23860755
Monoisotopic Mass468.23860755
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity720
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
GTR19218884-01Aurora Kinases-IN-4
MBS5805169Aurora Kinases-IN-2
GTR19212745-01Aurora Kinases-IN-3
048717-01Aurora Kinases (Aurora A/B/C) discontinued
HY-169735Aurora A inhibitor 4
HY-149354Aurora kinase-IN-4
145687PF 03814735 (Aurora Kinases A and B, N-[2-[ (1S,4R) -6-[[4- (Cyclobutylamin o) -5- (trifluoromethyl) -2-pyrimidinyl]amino]-1,2,3, 4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]- acetamide)
217204Aurora Kinase Inhibitor VI, ZM447439 (4- (4- (N-Benzoylamino) anilino) -6- methoxy-7- (3- (1-morpholino) propoxy) quinazoline)
MBS6326906-01NSUN2, ID (NSUN2, SAKI, TRM4, tRNA (cytosine(34)-C(5))-methyltransferase, Myc-induced SUN domain-containing protein, NOL1/NOP2/Sun domain family member 2, Substrate of AIM1/Aurora kinase B, tRNA (cytosine-5-)-methyltransferase, tRNA methyltransferase 4 ho
039167NSUN2, ID (NSUN2, SAKI, TRM4, tRNA (cytosine (34) -C (5) ) -methyltransferase, Myc-induced SUN domain-containing protein, NOL1/NOP2/Sun domain family member 2, Substrate of AIM1/Aurora kinase B, tRNA (cytosine-5-) -methyltransferase, tRNA methyltransferase 4 homolog)

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