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TAK-063

CAT: 1568-C13432-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C13432-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1238697-26-1
Synonyms
Balipodect
Target
PDE
Applications
Metabolism
Smiles
COC1=CN (N=C (C1=O) C2=CC=NN2C3=CC=CC=C3) C4=C (C=C (C=C4) N5C=CC=N5) F
Molecular Formula
C23H17FN6O2
Additionnal Information
TAK-063 (Balipodect) is a novel and selective phosphodiesterase 10A (PDE10A) inhibitor with an IC50 of 0.30 nM.
Storage Conditions
2 years -80 in solvent

Chemical Information

Balipodect

Balipodect is under investigation in clinical trial NCT01892189 (Effects of TAK-063 on Preventing Ketamine-Induced Brain Activity Changes as Well as Psychotic-Like Symptoms in Healthy Male Adults).

CAS Number1238697-26-1
PubChem CID46848915
IUPAC Name1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
Molecular FormulaC23H17FN6O2
Molecular Weight428.4
XLogP3.8
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity755
SMILES
COC1=CN(N=C(C1=O)C2=CC=NN2C3=CC=CC=C3)C4=C(C=C(C=C4)N5C=CC=N5)F
InChI
InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3
InChIKey
KVHRYLNQDWXAGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Balipodect
CAS: 1238697-26-1
CID: 46848915
Formula: C23H17FN6O2
MW: 428.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass428.13970197
Monoisotopic Mass428.13970197
Topological Polar Surface Area77.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity755
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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Alternative Products

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510331TAK-063
A15799-100TAK-063 100mg
A15799-25TAK-063 25mg
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A15799-50TAK-063 50mg
A15799-10TAK-063 10mg
A15799-5TAK-063 5mg
A15799-2TAK-063 2mg
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