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TAS-119

CAT: 0127-BUP07334-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07334-05Size:100 mg
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CAS Number
1453099-83-6
Synonyms
TAS-2104, TAS119, TAS 119, TAS2104, TAS 2104
Purity
=98%
Smiles
Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1

Chemical Information

Tas-119

Aurora A Kinase Inhibitor VIC-1911 is an orally bioavailable inhibitor of the serine/threonine protein kinase aurora A, with potential antimitotic and antineoplastic activities. Upon intravenous administration, aurora A kinase inhibitor VIC-1911 binds to and inhibits aurora A kinase, which may result in disruption of the assembly of the mitotic spindle apparatus, disruption of chromosome segregation, inhibition of cell division and the induction of apoptosis in cells overexpressing aurora A kinase. Aurora A kinase localizes to the spindle poles and to spindle microtubules during mitosis; it plays an essential role in the regulation of spindle assembly. Aurora kinase A is overexpressed in a wide variety of cancers.

CAS Number1453099-83-6
PubChem CID71696703
IUPAC Name1-(2,3-dichlorobenzoyl)-4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid
Molecular FormulaC23H22Cl2FN5O3
Molecular Weight506.4
XLogP4.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity741
SMILES
CC1=CC(=NN1)NC2=C(C=CC(=N2)CC3(CCN(CC3)C(=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)O)F
InChI
InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
InChIKey
PLAVWQHGBMTMFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tas-119
CAS: 1453099-83-6
CID: 71696703
Formula: C23H22Cl2FN5O3
MW: 506.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.4
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass505.1083731
Monoisotopic Mass505.1083731
Topological Polar Surface Area111 Ų
Heavy Atom Count34
Formal Charge0
Complexity741
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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