PF-2545920 - ≥96% , Phosphodiesterase 10A inhibitor, CAS No.1292799-56-4, Phosphodiesterase 10A inhibitor

CAS: 1292799-56-4 Cat. No.: P129667 分子式: C₂₅H₂₀N₄O 分子量: 392.45

GRADE & PURITY ≥96%

Synonyms

AC-5395 | D11171 | MARDEPODECT [INN] | PF-2545920(MP-10) | ((11)C)MP-10 | HY-50098 | Quinoline, 2-((4-(1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl)phenoxy)methyl)- | R9Y8EY0G42 | 4-FLUORONAPHTHALENE-1-BORONICACID | BCP23364 | PF2545920 | PF-2545920 | Mardepo

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

Specifications

同義語

AC-5395 | D11171 | MARDEPODECT [INN] | PF-2545920(MP-10) | ((11)C)MP-10 | HY-50098 | Quinoline, 2-((4-(1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl)phenoxy)methyl)- | R9Y8EY0G42 | 4-FLUORONAPHTHALENE-1-BORONICACID | BCP23364 | PF2545920 | PF-2545920 | Mardepo

仕様と純度

≥96%

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

アクションタイプ

INHIBITOR

作用メカニズム

Phosphodiesterase 10A inhibitor

純度

≥96%

名前と識別子

パブケム・シド

504766563

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504766563

カノニカル・スマイル

CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

IUPAC Name

2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline

InChIKey

AZEXWHKOMMASPA-UHFFFAOYSA-N

INCHI

1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3

異性体SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

分子量

392.45

Reaxy-Rn

12487395

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12487395&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Quinolines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

PDE10A Tclin cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (10 Activities)

Discover Target: PDE10A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LGALS3 Tchem Galectin-3 (2 Activities)

Discover Target: LGALS3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE1C Tclin Phosphodiesterase 1C (228 Activities)

Discover Target: PDE1C

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

PDE9A Tchem Phosphodiesterase 9A (1131 Activities)

Discover Target: PDE9A

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

PDE10A Tclin Phosphodiesterase 10A (5542 Activities)

Discover Target: PDE10A

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

LGALS1 Tchem Galectin-1 (387 Activities)

Discover Target: LGALS1

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

Liver microsomes (16955 Activities)

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関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Lgals3 Galectin-3 (98 Activities)

Discover Target: Lgals3

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

Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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MDCK (10148 Activities)

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BV-2 (3710 Activities)

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Cynomolgus monkey (4946 Activities)

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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

Brain (1 Activities)

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

Plasma (328 Activities)

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

Pde10a cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (1396 Activities)

Discover Target: Pde10a

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

Liver microsome (341 Activities)

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

SARS-CoV-2 (38078 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO 79 mg/mL Water <1 mg/mL Ethanol 79 mg/mL
• 分子量: 392.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 392.164 Da
• Monoisotopic Mass: 392.164 Da
• Topological Polar Surface Area: 52.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 531.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1292799-56-4, the molecular formula is C25H20N4O, and the molecular weight is 392.45 g/mol. InChIKey AZEXWHKOMMASPA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.