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MedKoo Cat#: 463579 | Name: UNC5114

Description:

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

UNC5114 is an inhibitor of PRC2. UNC5114 displayed low single digit micromolar potency in a fluorescence polarization (FP) ligand displacement assay and submicromolar binding affinity by ITC.

Chemical Structure

UNC5114
UNC5114
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463579

Name: UNC5114

CAS#: unknown

Chemical Formula: C34H56N6O4

Exact Mass: 612.4363

Molecular Weight: 612.86

Elemental Analysis: C, 66.63; H, 9.21; N, 13.71; O, 10.44

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
UNC5114; UNC 5114; UNC-5114;
IUPAC/Chemical Name
(2R,3aS,7aS)-N-((S)-1-(((S)-1-(((S)-1-amino-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-6-(isopropyl(methyl)amino)-1-oxohexan-2-yl)octahydro-1H-indole-2-carboxamide
InChi Key
QCOPPCLMRKMEKM-NXUCNJKMSA-N
InChi Code
InChI=1S/C34H56N6O4/c1-22(2)19-28(31(35)41)38-33(43)29(20-24-13-7-6-8-14-24)39-32(42)27(17-11-12-18-40(5)23(3)4)37-34(44)30-21-25-15-9-10-16-26(25)36-30/h6-8,13-14,22-23,25-30,36H,9-12,15-21H2,1-5H3,(H2,35,41)(H,37,44)(H,38,43)(H,39,42)/t25-,26-,27-,28-,29-,30+/m0/s1
SMILES Code
NC([C@H](CC(C)C)NC([C@H](CC1=CC=CC=C1)NC([C@H](CCCCN(C(C)C)C)NC([C@H]2C[C@@](CCCC3)([H])[C@@]3([H])N2)=O)=O)=O)=O
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
>3 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 612.86 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: Barnash KD, The J, Norris-Drouin JL, Cholensky SH, Worley BM, Li F, Stuckey JI, Brown PJ, Vedadi M, Arrowsmith CH, Frye SV, James LI. Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2. ACS Comb Sci. 2017 Mar 13;19(3):161-172. doi: 10.1021/acscombsci.6b00174. Epub 2017 Feb 22. PMID: 28165227; PMCID: PMC5376495.