PSB-10 - Moligand™ , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.439902-54-2, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

CAS: 439902-54-2 Cat. No.: P612982 PubChem CID: 135401232
DISPONIBLE À COMMANDE
QUALITÉ & PURETÉ Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
PSB-10|2DRZ23E4F7|UNII-2DRZ23E4F7|439902-54-2|CHEMBL1562432|5H-Imidazo(2,1-i)purin-5-one, 8-ethyl-1,4,7,8-tetrahydro-4-methyl-2-(2,3,5-trichlorophenyl)-, (8R)-|5H-Imidazo(2,1-i)purin-5-one, 8-ethyl-3,4,7,8-tetrahydro-4-methyl-2-(2,3,5-trichlorophenyl)-, (
Storage
Room temperature
★
Taille
Allemagne (EU)
USA*
Prix
Qté
5mg
P612982-5mg
Sur commande · 8–12 semaines
694,10€
25mg
P612982-25mg
Sur commande · 8–12 semaines
1 488,09€
Enter a quantity for the sizes you want to add.

Spécifications

Synonymes
PSB-10 | 2DRZ23E4F7 | UNII-2DRZ23E4F7 | 439902-54-2 | CHEMBL1562432 | 5H-Imidazo(2,1-i)purin-5-one, 8-ethyl-1,4,7,8-tetrahydro-4-methyl-2-(2,3,5-trichlorophenyl)-, (8R)- | 5H-Imidazo(2,1-i)purin-5-one, 8-ethyl-3,4,7,8-tetrahydro-4-methyl-2-(2,3,5-trichlorophenyl)-, (
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
ANTAGONIST
Mécanisme d'action
Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
Noms et identifiants
Sourires canoniques
CCC1CN2C(=C3C(=NC(=N3)C4=C(C(=CC(=C4)Cl)Cl)Cl)N(C2=O)C)N1
IUPAC Name
(8R)-8-ethyl-4-methyl-2-(2,3,5-trichlorophenyl)-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
InChIKey
QYCXKYOTLRUVFA-MRVPVSSYSA-N
INCHI
1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8,20H,3,6H2,1-2H3/t8-/m1/s1
Isomères SMILES
CC[C@@H]1CN2C(=C3C(=NC(=N3)C4=C(C(=CC(=C4)Cl)Cl)Cl)N(C2=O)C)N1
CAS alternatif
439902-54-2
PubChem CID
135401232

Données avancées

Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
ADORA2A Tclin Adenosine receptor A2a (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA2B Tclin Adenosine receptor A2b (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine receptor A1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA3 Tchem Adenosine receptor A3 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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
Poids moléculaire398.700 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass397.026 Da
Monoisotopic Mass397.026 Da
Topological Polar Surface Area60.300 Ų
Heavy Atom Count25
Formal Charge0
Complexity706.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
Avis

Avis des clients

Foire aux questions

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 439902-54-2. InChIKey QYCXKYOTLRUVFA-MRVPVSSYSA-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.

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