TAK-901 hydrochloride

CAT: 0931-T88283-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T88283-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

934542-50-4

Target

Aurora Kinase

Related Pathways

Cell Cycle/Checkpoint, Chromatin/Epigenetic

Bioactivity

TAK-901 hydrochloride functions as a multi-targeted inhibitor of aurora kinases, demonstrating IC50 values of 21 nM for aurora A and 15 nM for aurora B.

Smiles

Cl.O=C(NC1CCN(C)CC1)C=2C=C(C=3C=CC=C(C3)S(=O)(=O)CC)C=4C5=CC(=CN=C5NC4C2C)C

Molecular Formula

C28H33ClN4O3S

Molecular Weight

541.1

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

TAK-901 hydrochloride

CAS Number	934542-50-4
PubChem CID	24970120
IUPAC Name	5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;hydrochloride
Molecular Formula	C28H33ClN4O3S
Molecular Weight	541.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	37
Formal Charge	0
Complexity	884

SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C.Cl

InChI

InChI=1S/C28H32N4O3S.ClH/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26;/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33);1H

InChIKey

VJCDELBBEITKBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 934542-50-4

CID: 24970120

Formula: C28H33ClN4O3S

MW: 541.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	541.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	540.1961898
Monoisotopic Mass	540.1961898
Topological Polar Surface Area	104 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	884
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	2
Compound Is Canonicalized	Yes

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HY-12201A	TAK-901 (hydrochloride)
GTR19233930-01	TAK-901 hydrochloride
HY-15160A	TAK-960 (hydrochloride)
MBS3846308-01	TAK-659 hydrochloride
MBS3600666-01	TAK-259 hydrochloride
MBS5750071	TAK-659 (hydrochloride)
MBS5806878	TAK-960 hydrochloride
256801-01	TAK 960 hydrochloride
M13805	TAK-802 hydrochloride
MBS5811447	TAK-220 Hydrochloride

TAK-901 hydrochloride

Chemical Information

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