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 Formule: C19H17F3N8 Poids moléculaire: 414.39 Numéro CE: 109-938-6 PubChem CID: 60143346
DISPONIBLE À COMMANDE
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
Conserver à -20°C
Shipped In
Glacière + blocs de glace
★
Size
Allemagne (EU)
USA*
Price
Qty
5mg
P288577-5mg
Sur commande · 8–12 semaines
125,74€
25mg
P288577-25mg
Sur commande · 8–12 semaines
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.

🌡

Storage & shipping

Conserver à -20°C Ships Glacière + blocs de glace Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonymes
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
Spécifications et pureté
Moligand™, ≥98%(HPLC)
Mécanismes biochimiques et physiologiques
Inhibiteur puissant et sélectif de la PDE2A (IC50= 1 nM). Sélectivité de 2000 fois pour la PDE2A par rapport à la PDE10A. Pénètre dans le cerveau.
Conditions de stockage de stockage
Conserver à -20°C
Expédié en
Glacière + blocs de glace
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of phosphodiesterase 2A
Pureté
≥98%(HPLC)
Noms et identifiants
Sourires canoniques
CC1=NC(=C2N1N=CN=C2N3CCC3)C4=C(N(N=C4)C)C5=NC=C(C=C5)C(F)(F)F
IUPAC Name
4-(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
InChIKey
CLGCHUKGBICQTE-UHFFFAOYSA-N
INCHI
1S/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
Isomères SMILES
CC1=NC(=C2N1N=CN=C2N3CCC3)C4=C(N(N=C4)C)C5=NC=C(C=C5)C(F)(F)F
PubChem CID
60143346
Poids moléculaire
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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
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
Cibles associées (non humaines)
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
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SolubilitéSolvent:DMSO, Max Conc. mg/mL: 20.72, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 20.72, Max Conc. mM: 50
Poids moléculaire414.400 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
Calculateurs de solution
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