TAS-119

CAT: 0127-BUP07334-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07334-06Size:500 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 Number	1453099-83-6
PubChem CID	71696703
IUPAC Name	1-(2,3-dichlorobenzoyl)-4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid
Molecular Formula	C23H22Cl2FN5O3
Molecular Weight	506.4
XLogP	4.4
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	741

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

CAS: 1453099-83-6

CID: 71696703

Formula: C23H22Cl2FN5O3

MW: 506.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	506.4
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	505.1083731
Monoisotopic Mass	505.1083731
Topological Polar Surface Area	111 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	741
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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