WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125199
CAS#: N/A
Description: UNC9512 is a a 3BP1 Antagonist. UNC9512 binds the TTD with an IC50 value of 0.46 ± 0.21 μM. UNC9512 demonstrated submicromolar affinity by TR-FRET (0.46 ± 0.21 μM) and protein stabilization by DSF (+4.1 ± 0.3 °C), as well as similar Kd measurements in SPR (0.17 ± 0.02 μM) and ITC (0.41 ± 0.17 μM) assays with ∼4-fold and ∼2-fold improvements over UNC8531, respectively.
Hodoodo Cat#: 125199
Name: UNC9512
CAS#: N/A
Chemical Formula: C31H34N6O3
Exact Mass: 538.27
Molecular Weight: 538.650
Elemental Analysis: C, 69.12; H, 6.36; N, 15.60; O, 8.91
This product is not in stock, which may be available by custom synthesis.
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Synonym: UNC9512; UNC 9512; UNC-9512
IUPAC/Chemical Name: 1-(4-(4-methylpiperazin-1-yl)picolinoyl)-N-(3-(3-oxoisoindolin-5-yl)phenyl)piperidine-3-carboxamide
InChi Key: OYWGFOXQBJYTIR-UHFFFAOYSA-N
InChi Code: InChI=1S/C31H34N6O3/c1-35-12-14-36(15-13-35)26-9-10-32-28(18-26)31(40)37-11-3-5-24(20-37)29(38)34-25-6-2-4-21(16-25)22-7-8-23-19-33-30(39)27(23)17-22/h2,4,6-10,16-18,24H,3,5,11-15,19-20H2,1H3,(H,33,39)(H,34,38)
SMILES Code: CN1CCN(C2=CC(C(N3CC(C(NC4=CC(C5=CC=C(CNC6=O)C6=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 538.65 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.
