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TAK 901

CAT: 0926-FT27989Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FT27989Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
934541-31-8
Synonyms
5-[3- (Ethylsulfonyl) phenyl]-3,8-dimethyl-N- (1-methyl-4-piperidinyl) -9H-pyrido[2,3-b]indole-7-carboxamide
MDL Number
MFCD18782651
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
Molecular Formula
C28H32N4O3S
Molecular Weight
504.64 g/mol
Controlled
No

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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