PF 05180999 - Moligand™, ≥98%(HPLC) , Inhibitor of phosphodiesterase 2A, CAS No.1394033-54-5, Inhibitor of phosphodiesterase 2A

CAS: 1394033-54-5 Cat. No.: P288577 Fórmula: C19H17F3N8 Peso molecular: 414.39 Número CE: 109-938-6 PubChem CID: 60143346
Disponível para encomenda
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
Synonyms
AKOS028114948 | BP166579 | SCHEMBL11971205 | 1394033-54-5 | 5L84K4IEN9 | compound 30 [PMID: 29293004] | UNII-5L84K4IEN9 | 4-(1-Azetidinyl)-7-methyl-5-(1-methyl-5-(5-(trifluoromethyl)-2-pyridinyl)-1H-pyrazol-4-yl)imidazo(5,1-F)(1,2,4)triazine | 4-(1-Azetid
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Alemanha (EU)
USA*
Price
Qty
5mg
P288577-5mg
Sob encomenda · 8–12 semanas
125,74€
25mg
P288577-25mg
Sob encomenda · 8–12 semanas
503,20€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
AKOS028114948 | BP166579 | SCHEMBL11971205 | 1394033-54-5 | 5L84K4IEN9 | compound 30 [PMID: 29293004] | UNII-5L84K4IEN9 | 4-(1-Azetidinyl)-7-methyl-5-(1-methyl-5-(5-(trifluoromethyl)-2-pyridinyl)-1H-pyrazol-4-yl)imidazo(5,1-F)(1,2,4)triazine | 4-(1-Azetid
Especificações e pureza
Moligand™, ≥98%(HPLC)
Mecanismos bioquímicos e fisiológicos
Potent and selective PDE2A inhibitor (IC50= 1 nM). Exhibits 2000-fold selectivity for PDE2A over PDE10A. Brain penetrant.
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Grau
Moligand™
Tipo de ação
INHIBITOR
Mecanismo de ação
Inhibitor of phosphodiesterase 2A
Pureza
≥98%(HPLC)
Nomes e identificadores
Sorrisos canónicosCC1=NC(=C2N1N=CN=C2N3CCC3)C4=C(N(N=C4)C)C5=NC=C(C=C5)C(F)(F)F
IUPAC Name4-(azetidin-1-yl)-7-methyl-5-[1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazine
InChIKeyCLGCHUKGBICQTE-UHFFFAOYSA-N
INCHI1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
SMILES isoméricas CC1=NC(=C2N1N=CN=C2N3CCC3)C4=C(N(N=C4)C)C5=NC=C(C=C5)C(F)(F)F
PubChem CID 60143346
Peso molecular 414.39

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClasseOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Tertiary amines - Tertiary alkylarylamines
Direct ParentDialkylarylamines
Alternative Parents Pyridines and derivatives  N-substituted imidazoles  Imidolactams  1,2,4-triazines  Pyrazoles  Heteroaromatic compounds  Azetidines  Azacyclic compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  Organic anions  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dialkylarylamine - N-substituted imidazole - Pyridine - Triazine - Imidolactam - 1,2,4-triazine - Pyrazole - Imidazole - Azole - Heteroaromatic compound - Azetidine - Organoheterocyclic compound - Azacycle - Alkyl halide - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
PDE2A Tclin cGMP-dependent 3',5'-cyclic phosphodiesterase (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AOX1 Tchem Aldehyde oxidase (429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A (122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
PDE2A Phosphodiesterase 2A (77 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCKII-LE (120 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeSolvent:DMSO, Max Conc. mg/mL: 20.72, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 20.72, Max Conc. mM: 50
Peso molecular414.400 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass414.153 Da
Monoisotopic Mass414.153 Da
Topological Polar Surface Area77.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity617.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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