MedKoo Cat#: 532479 | Name: PSB-0963 sodium

Description:

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

PSB-0963 is a small-molecule inhibitor targeting ecto-5'-nucleotidase (CD73), an enzyme implicated in the immunosuppressive tumor microenvironment. In vitro studies have demonstrated that PSB-0963 exhibits inhibitory activity against soluble rat CD73, with a pKi value of 6.8, corresponding to a Ki of 150 nM. Additionally, PSB-0963 has been reported to inhibit human ectonucleoside triphosphate diphosphohydrolase 1 (CD39), another enzyme involved in purinergic signaling, with a pKi value of 5.6, equating to a Ki of approximately 2.59 µM. These findings suggest that PSB-0963 may serve as a valuable tool for modulating purinergic signaling pathways in cancer research and immunotherapy development.

Chemical Structure

PSB-0963 sodium
PSB-0963 sodium
CAS#1213268-73-5 (sodium)

Theoretical Analysis

MedKoo Cat#: 532479

Name: PSB-0963 sodium

CAS#: 1213268-73-5 (sodium)

Chemical Formula: C28H17N2NaO5S

Exact Mass: 0.0000

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.
Bulk Inquiry
Related CAS #
1213268-73-5 (sodium) 1213300-47-0 (free acid)
Synonym
PSB-0963; PSB 0963; PSB0963.
IUPAC/Chemical Name
1-amino-4-(anthracen-2-ylamino)-9,10-dioxoanthracene-2-sulfonate sodium
InChi Key
YFKPIPRCPCDQAK-UHFFFAOYSA-M
InChi Code
InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
SMILES Code
O=S(C(C(N)=C1C2=O)=CC(NC3=CC=C4C=C5C=CC=CC5=CC4=C3)=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: Baqi Y, Lee SY, Iqbal J, Ripphausen P, Lehr A, Scheiff AB, Zimmermann H, Bajorath J, Müller CE. Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold. J Med Chem. 2010 Mar 11;53(5):2076-86. doi: 10.1021/jm901851t. PubMed PMID: 20146483.