MedKoo Cat#: 530556 | Name: PSB-16133 sodium

Description:

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

PSB-16133 is a Potent and Selective Antagonist for the UTP-Activated P2Y4 Receptor. PSB-16133 exhibited an IC50 value of 233 nM, selectivity versus other P2Y receptor subtypes, and is thought to act as an allosteric antagonist. A receptor homology model was built and docking studies were performed to analyze ligand-receptor interactions. Compound 64 represents the most potent and selective P2Y4 receptor antagonist known to date and is therefore anticipated to become a useful tool for studying this scarcely investigated receptor.

Chemical Structure

PSB-16133 sodium
PSB-16133 sodium
CAS#2089035-40-3 (sodium)

Theoretical Analysis

MedKoo Cat#: 530556

Name: PSB-16133 sodium

CAS#: 2089035-40-3 (sodium)

Chemical Formula: C28H21N2NaO5S2

Exact Mass:

Molecular Weight: 552.59

Elemental Analysis: C, 60.86; H, 3.83; N, 5.07; Na, 4.16; O, 14.48; S, 11.60

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 #
2089035-40-3 (sodium) 2089035-39-0 (free acid)
Synonym
PSB-16133; PSB 16133; PSB16133.
IUPAC/Chemical Name
Sodium 1-amino-4-[4-(2,4-dimethylphenylthio)phenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
InChi Key
VKKGSBFVNWDGQZ-UHFFFAOYSA-M
InChi Code
InChI=1S/C28H22N2O5S2.Na/c1-15-7-12-22(16(2)13-15)36-18-10-8-17(9-11-18)30-21-14-23(37(33,34)35)26(29)25-24(21)27(31)19-5-3-4-6-20(19)28(25)32;/h3-14,30H,29H2,1-2H3,(H,33,34,35);/q;+1/p-1
SMILES Code
O=S(C(C(N)=C1C2=O)=CC(NC3=CC=C(SC4=CC=C(C)C=C4C)C=C3)=C1C(C5=C2C=CC=C5)=O)([O-])=O.[Na+]
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 552.59 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: Rafehi M, Malik E, Neumann A, Abdelrahman A, Hanck T, Namasivayam V, Müller CE, Baqi Y. Development of Potent and Selective Antagonists for the UTP-Activated P2Y(4) Receptor. J Med Chem. 2017 Mar 17. doi: 10.1021/acs.jmedchem.7b00030. [Epub ahead of print] PubMed PMID: 28306255.