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

MedKoo CAT#: 561260

CAS#: 1213268-80-4

Description: PSB-16131 is the most potent Lp1NTPDase inhibitor described to date. Lp1NTPDase inhibition provides a novel approach for the (immuno)therapy of Legionella infections.

Chemical Structure

CAS# 1213268-80-4

Theoretical Analysis

MedKoo Cat#: 561260
Name: PSB-16131
CAS#: 1213268-80-4
Chemical Formula: C28H17N2NaO5S
Exact Mass: 516.0756
Molecular Weight: 516.5
Elemental Analysis: C, 65.11; H, 3.32; N, 5.42; Na, 4.45; O, 15.49; S, 6.21

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: PSB-16131; PSB16131; PSB 16131

IUPAC/Chemical Name: Sodium 1-amino-4-[phenanthrene-9-yl-amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate


InChi Code: InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)20-12-6-5-11-19(20)27(24)31)30-21-13-15-7-1-2-8-16(15)17-9-3-4-10-18(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1

SMILES Code: O=S(C(C(N)=C1C2=O)=CC(NC3=CC4=CC=CC=C4C5=CC=CC=C53)=C1C(C6=C2C=CC=C6)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 516.5 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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.


Dilution Calculator

Calculate the dilution required to prepare a stock solution.

1: Fiene A, Baqi Y, Malik EM, Newton P, Li W, Lee SY, Hartland EL, Müller CE. Inhibitors for the bacterial ectonucleotidase Lp1NTPDase from Legionella pneumophila. Bioorg Med Chem. 2016 Sep 15;24(18):4363-71. doi: 10.1016/j.bmc.2016.07.027. Epub 2016 Jul 17. PubMed PMID: 27522579.