WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125197
CAS#: N/A
Description: 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.
Hodoodo Cat#: 125197
Name: UNC8531
CAS#: N/A
Chemical Formula: C30H34N6O3
Exact Mass: 526.27
Molecular Weight: 526.640
Elemental Analysis: C, 68.42; H, 6.51; N, 15.96; O, 9.11
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.