TAK-063 - 10mM in DMSO , Phosphodiesterase 10A inhibitor, CAS No.1238697-26-1, Phosphodiesterase 10A inhibitor

CAS: 1238697-26-1 Cat. No.: T421029 Summenformel: C₂₃H₁₇FN₆O₂ Molekulargewicht: 428.42 PubChem CID: 46848915

GRADE & PURITY 10mM in DMSO

Synonyms

HY-12472 | TAK063 | TAK-063 | BS-15045 | DB14774 | 1-(2-FLUORO-4-(1H-PYRAZOL-1-YL)PHENYL)-5-METHOXY- 3-(1-PHENYL-1H-PYRAZOL-5-YL)PYRIDAZIN-4(1H)-ONE | 3K9 | J-690093 | 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1,4-dihyd

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

TAK-063 (Balipodect) is a novel and selectivephosphodiesterase 10A(PDE10A)inhibitor with an IC50 of 0.30 nM.

Targets

PDE10A (Cell-free assay) 0.3 nM

In vivo

TAK-063 has high brain penetration in mice. Oral administration of TAK-063 to mice elevated striatal cAMP and (cGMP) levels at 0.3 mg/kg and shows potent suppression of phencyclidine (PCP)-induced hyperlocomotion at a minimum effective dose (MED) of 0.3 mg/kg. TAK-063 is currently being evaluated in clinical trials for the treatment of schizophrenia.

Specifications

Synonyme

HY-12472 | TAK063 | TAK-063 | BS-15045 | DB14774 | 1-(2-FLUORO-4-(1H-PYRAZOL-1-YL)PHENYL)-5-METHOXY- 3-(1-PHENYL-1H-PYRAZOL-5-YL)PYRIDAZIN-4(1H)-ONE | 3K9 | J-690093 | 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1,4-dihyd

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

TAK-063 (Balipodect) is a novel and selective phosphodiesterase 10A(PDE10A) inhibitor with an IC50 of 0.30 nM.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Phosphodiesterase 10A inhibitor

Produkteigenschaften

• ALogP: 3.983
• Rotationsfähige Bindung: 5

Namen und Kennungen

• Pubchem Sid: 528767339
• Kanonisches Lächeln: COC1=CN(N=C(C1=O)C2=CC=NN2C3=CC=CC=C3)C4=C(C=C(C=C4)N5C=CC=N5)F
• IUPAC Name: 1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
• InChIKey: KVHRYLNQDWXAGI-UHFFFAOYSA-N
• 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
• Isomere SMILES: COC1=CN(N=C(C1=O)C2=CC=NN2C3=CC=CC=C3)C4=C(C=C(C=C4)N5C=CC=N5)F
• PubChem CID: 46848915
• Molekulargewicht: 428.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Fluorobenzenes Alkyl aryl ethers Pyridazines and derivatives Aryl fluorides Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridazine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Ether - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 85
• DMSO (mM) Maximale Löslichkeit: 198.4034359
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 428.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 428.14 Da
• Monoisotopic Mass: 428.14 Da
• Topological Polar Surface Area: 77.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 755.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1