Research chemical

Psb603

CAS Number: 1092351-10-4

Psb603 molecular structure, CAS 1092351-10-4 — Chemical structure

Product details

Identity & specification

Molecular formula: C24H25ClN6O4S
Molecular weight: 529 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

44185871

Exact Mass

528.134652

InChIKey

OVHCTHHFOHMNFV-UHFFFAOYSA-N

IUPAC Name

8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione

SMILES String

CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O

Physical Properties

Appearance

Powder or crystals

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

36

H-bond acceptors

10

H-bond donors

2

Rotatable bonds

6

Ring count

5

Aromatic rings

4

Topological polar surface area

124.16 Å²

Computed LogP

2.65

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Psb603 (CAS 1092351-10-4) is maintained as a cataloged research chemical with formula C24H25ClN6O4S, molecular weight 529. 00 g/mol, PubChem CID 44185871.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.

Documentation needs

SDS signal word: Warning; hazard codes: H315; for research use only.

Applications & Classification

Package and Price Reference Supplier Catalog Sourcing Commercial Research Chemicals Heterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability review

Biological target reference

ChEMBL reports experimental activity evidence for: Adenosine receptor A2b (Mus musculus) — 2 assays; Adenosine receptor A2b (Homo sapiens) — 12 assays; Adenosine receptor A2a (Homo sapiens) — 3 assays; Adenosine receptor A3 (Homo sapiens) — 3 assays; Adenosine receptor A1 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Adenosine receptor A2b

Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 9.46

Experimental evidence source: ChEMBL

Adenosine receptor A2b

Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 3 documents · best pChEMBL 9.39

Experimental evidence source: ChEMBL

Adenosine receptor A2a

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 9.26

Experimental evidence source: ChEMBL

Adenosine receptor A3

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Adenosine receptor A1

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

8-{4-[4-(4-chlorophenyl)piperazine-1-sulfonyl]phenyl}-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dionePSB 6038-[4-[4-(4-chlorophenzyl)piperazide-1-sulfonyl)phenyl]]-1-propylxanthine8-[4-[[4-(4-Chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]-3,9-dihydro-1-propyl-1H-purine-2,6-dione

Show all synonyms

[3H]PSB6038-(4-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}phenyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dionePSB-603, >=98% (HPLC)(8-[4-[4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl]]-1-propylxanthine8-(4-((4-(4-Chlorophenyl)piperazin-1-yl)sulfonyl)phenyl)-1-propyl-3,9-dihydro-1H-purine-2,6-dione8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propyl-3,7-dihydropurine-2,6-dione8-{4-[4-(4-Chloro-phenyl)-piperazine-1-sulfonyl]-phenyl}-1-propyl-3,7-dihydro-purine-2,6-dione

External Identifiers

EC NUMBER: 873-191-9CHEMBL ID: CHEMBL483688WIKIDATA ID: Q27088474

Literature & Patent References

DOI 10.1016/j.ejmech.2021.113907Adenosine receptor antagonists: Recent advances and therapeutic perspective.PMID 34695776Adenosine receptor antagonists: Recent advances and therapeutic perspective.DOI 10.1021/acs.jmedchem.0c014313,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition.DOI 10.1021/acs.jmedchem.0c02169Development of Covalent, Clickable Probes for Adenosine A<sub>1</sub> and A<sub>3</sub> Receptors.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators PMID 333728003,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition.PMID 34120444Development of Covalent, Clickable Probes for Adenosine A<sub>1</sub> and A<sub>3</sub> Receptors.DOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similaritytepotinib hydrochloride anhydrousView related compound →Structure similarity3-(4-fluorophenyl)-2-((2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)thio)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamideView related compound →Structure similarity2-((2-(1H-indol-3-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-N-isobutyl-4-oxo-3,4-dihydroquinazoline-7-carboxamideView related compound →Structure similarity2-(((2-(5-bromo-2-methoxyphenyl)-5-methyloxazol-4-yl)methyl)thio)-3-isopentylquinazolin-4(3H)-oneView related compound →Structure similarity3-benzyl-N-cyclohexyl-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carboxamideView related compound →

Procurement notes

Sourcing context and documentation notes

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Package and specification

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Final lot confirmation

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Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 1092351-10-4 in stock?

Psb603 is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

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Can MolGraph provide COA or SDS for CAS 1092351-10-4?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.