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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
COA
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
AVAILABLE TO ORDER
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.
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
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P612982-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
P612982-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

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)-, (
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
Names and Identifiers
Canonical SmilesCCC1CN2C(=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
InChIKeyQYCXKYOTLRUVFA-MRVPVSSYSA-N
INCHI1S/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
Isomeric SMILES CC[C@@H]1CN2C(=C3C(=NC(=N3)C4=C(C(=CC(=C4)Cl)Cl)Cl)N(C2=O)C)N1
Alternate CAS 439902-54-2
PubChem CID 135401232

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

3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
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
Associated Targets(non-human)
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
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight398.700 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
Solution Calculators
Reviews

Customer Reviews

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View related series

A1 receptor Antagonist (60) A2A receptor Antagonist (59) A2B receptor Antagonist (57) A3 receptor Antagonist (58)
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