UNC8531 | 3BP1 Antagonist

MedKoo Cat#: 125197 | Name: UNC8531

Description:

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

UNC8531 is a 3BP1 Antagonist. UNC8531 binds the 53BP1 tandem Tudor domain (TTD with an IC50 of 0.47 ± 0.09 μM in a TR-FRET assay and Kd values of 0.85 ± 0.17 and 0.79 ± 0.52 μM in ITC and SPR, respectively.

Chemical Structure

UNC8531

CAS#N/A

Theoretical Analysis

MedKoo Cat#: 125197

Name: UNC8531

CAS#: N/A

Chemical Formula: C30H34N6O3

Exact Mass: 526.2700

Molecular Weight: 526.64

Elemental Analysis: C, 68.42; H, 6.51; N, 15.96; O, 9.11

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 #

No Data

Synonym

UNC8531; UNC 8531; UNC-8531

IUPAC/Chemical Name

N-(4'-carbamoyl-[1,1'-biphenyl]-3-yl)-1-(4-(4-methylpiperazin-1-yl)picolinoyl)piperidine-3-carboxamide

InChi Key

KDJWESNUVQMZGH-UHFFFAOYSA-N

InChi Code

InChI=1S/C30H34N6O3/c1-34-14-16-35(17-15-34)26-11-12-32-27(19-26)30(39)36-13-3-5-24(20-36)29(38)33-25-6-2-4-23(18-25)21-7-9-22(10-8-21)28(31)37/h2,4,6-12,18-19,24H,3,5,13-17,20H2,1H3,(H2,31,37)(H,33,38)

SMILES Code

CN1CCN(C2=CC(C(N3CC(C(NC4=CC(C5=CC=C(C(N)=O)C=C5)=CC=C4)=O)CCC3)=O)=NC=C2)CC1

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 526.64 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

Shell DJ, Foley CA, Wang Q, Smith CM, Guduru SKR, Zeng H, Dong A, Norris-Drouin JL, Axtman M, Hardy PB, Gupta G, Halabelian L, Frye SV, James LI, Pearce KH. Discovery of a 53BP1 Small Molecule Antagonist Using a Focused DNA-Encoded Library Screen. J Med Chem. 2023 Oct 2. doi: 10.1021/acs.jmedchem.3c01192. Epub ahead of print. PMID: 37782247.