WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 530556
CAS#: 2089035-40-3 (sodium)
Description: 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.
MedKoo Cat#: 530556
Name: PSB-16133 sodium
CAS#: 2089035-40-3 (sodium)
Chemical Formula: C28H21N2NaO5S2
Exact Mass:
Molecular Weight: 552.5948
Elemental Analysis: C, 60.86; H, 3.83; N, 5.07; Na, 4.16; O, 14.48; S, 11.60
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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
The following data is based on the product molecular weight 552.5948 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.
| 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.
