MedKoo Cat#: 125199 | Name: UNC9512

Description:

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

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.

Chemical Structure

UNC9512
UNC9512
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 125199

Name: UNC9512

CAS#: N/A

Chemical Formula: C31H34N6O3

Exact Mass: 538.2700

Molecular Weight: 538.65

Elemental Analysis: C, 69.12; H, 6.36; N, 15.60; O, 8.91

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 #
No Data
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

Preparing Stock Solutions

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.

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
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.