MedKoo Cat#: 532478 | Name: PSB-0788

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PSB-0788 is a potent and selective adenosine A2B receptor antagonist (IC50 = 3.64 nM at human A2B receptors). PSB-0788 displays > 100-fold selectivity over hA1, hA2A and hA3 receptors.

Chemical Structure

PSB-0788
PSB-0788
CAS#1027513-54-7

Theoretical Analysis

MedKoo Cat#: 532478

Name: PSB-0788

CAS#: 1027513-54-7

Chemical Formula: C25H27ClN6O4S

Exact Mass: 542.1503

Molecular Weight: 543.04

Elemental Analysis: C, 55.30; H, 5.01; Cl, 6.53; N, 15.48; O, 11.78; S, 5.90

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
PSB-0788; PSB 0788; PSB0788.
IUPAC/Chemical Name
8-(4-{4-[(4-chlorophenyl)methyl]piperazine-1-sulfonyl}phenyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChi Key
JQZJACVYMPKVDS-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)
SMILES Code
O=C(N1CCC)NC2=C(NC(C3=CC=C(S(=O)(N4CCN(CC5=CC=C(Cl)C=C5)CC4)=O)C=C3)=N2)C1=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 543.04 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Arsyad A, Dobson GP. Lidocaine relaxation in isolated rat aortic rings is enhanced by endothelial removal: possible role of K(v), K(ATP) channels and A(2a) receptor crosstalk. BMC Anesthesiol. 2016 Dec 3;16(1):121. PubMed PMID: 27914476; PubMed Central PMCID: PMC5135802. 2: Arsyad A, Dobson GP. Adenosine relaxation in isolated rat aortic rings and possible roles of smooth muscle Kv channels, KATP channels and A2a receptors. BMC Pharmacol Toxicol. 2016 May 23;17(1):23. doi: 10.1186/s40360-016-0067-8. PubMed PMID: 27211886; PubMed Central PMCID: PMC4876563. 3: Borrmann T, Hinz S, Bertarelli DC, Li W, Florin NC, Scheiff AB, Müller CE. 1-alkyl-8-(piperazine-1-sulfonyl)phenylxanthines: development and characterization of adenosine A2B receptor antagonists and a new radioligand with subnanomolar affinity and subtype specificity. J Med Chem. 2009 Jul 9;52(13):3994-4006. doi: 10.1021/jm900413e. PubMed PMID: 19569717.