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TAK-901

CAT: 0013-GTR19160744-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160744-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A multikinase inhibitor with IC50 of 21 nM and 15 nM for Aurora A/TPX2 and Aurora B/INCENP respectively; inhibits 56 kinases (IC50< 100 nM) ; inhibits kinds of cancer cell lines with EC50s of 40-500 nM; suppresses cellular histone H3 phosphorylation and induced polyploidy.Blood Cancer Phase 1. Discontinued
CAS Number
934541-31-8
Product Name Alternative
TAK901 | TAK 901
Field of Research
Epigenetics & Chromatin
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=C (C1=C (C) C2=C (C (C3=CC=CC (S (=O) (CC) =O) =C3) =C1) C4=CC (C) =CN=C4N2) NC5CCN (C) CC5
Molecular Formula
C28H32N4O3S
Molecular Weight
504.6437
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
9H-Pyrido[2,3-b]indole-7-carboxamide, 5-[3- (ethylsulfonyl) phenyl]-3,8-dimethyl-N- (1-methyl-4-piperidinyl) -

Chemical Information

Tak-901

TAK-901 has been used in trials studying the treatment of Lymphoma, Myelofibrosis, Multiple Myeloma, Myeloid Metaplasia, and Advanced Solid Tumors, among others.

CAS Number934541-31-8
PubChem CID16124208
IUPAC Name5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
Molecular FormulaC28H32N4O3S
Molecular Weight504.6
XLogP4.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity884
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
InChI
InChI=1S/C28H32N4O3S/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)
InChIKey
WKDACQVEJIVHMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tak-901
CAS: 934541-31-8
CID: 16124208
Formula: C28H32N4O3S
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass504.21951207
Monoisotopic Mass504.21951207
Topological Polar Surface Area104 Ų
Heavy Atom Count36
Formal Charge0
Complexity884
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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