MedKoo Cat#: 561260 | Name: PSB-16131

Description:

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

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

PSB-16131
PSB-16131
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: 516.50

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 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 #
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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 Key
JWLRBBUFBVWSFA-UHFFFAOYSA-M
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 516.50 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: 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.