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UNC6852

CAT: 0013-GTR19216884-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216884-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC6852 contains an EED ligand (IC50 = 247 nM) and a von Hippel-Lindau ligand and is a selective polycomb repressive complex 2 (PRC2) degrader based on PROTAC. (In Vitro) :UNC6852 (10 μM; 1-72 hours) results in a decrease in the levels of both EED and EZH2. UNC6852 facilitates PRC2 degradation via VHL recruitment and reduces H3K27me3 levels and DLBCL cell proliferation. UNC6852 displays no cellular toxicity at concentrations up to 30 μM for HeLa Cells.
CAS Number
2688842-08-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (120.05 mM)
Smiles
CCc (n (Cc1ccccc1) c1ccc2) c (C (C (N) =O) =O) c1c2OCC (OC) =O
Molecular Formula
C22H22N2O5
Molecular Weight
394.42
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2S,4R)-1-((S)-2-(4-(4-(5-((Furan-2-ylmethyl)amino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)benzamido)butanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS Number2688842-08-0
PubChem CID146014466
IUPAC Name(2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC43H48N10O6S
Molecular Weight833.0
XLogP4.7
Topological Polar Surface Area237
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count60
Formal Charge0
Complexity1460
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCNC(=O)C4=CC=C(C=C4)C5=CN=C(N6C5=NN=C6)NCC7=CC=CO7)O
InChI
InChI=1S/C43H48N10O6S/c1-26-36(60-25-48-26)29-11-9-27(10-12-29)20-45-40(57)34-19-31(54)23-52(34)41(58)37(43(2,3)4)50-35(55)8-5-17-44-39(56)30-15-13-28(14-16-30)33-22-47-42(53-24-49-51-38(33)53)46-21-32-7-6-18-59-32/h6-7,9-16,18,22,24-25,31,34,37,54H,5,8,17,19-21,23H2,1-4H3,(H,44,56)(H,45,57)(H,46,47)(H,50,55)/t31-,34+,37-/m1/s1
InChIKey
PPNNFXIBKLCMTI-WXEAQWFJSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-1-((S)-2-(4-(4-(5-((Furan-2-ylmethyl)amino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)benzamido)butanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS: 2688842-08-0
CID: 146014466
Formula: C43H48N10O6S
MW: 833.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight833.0
XLogP34.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass832.34790046
Monoisotopic Mass832.34790046
Topological Polar Surface Area237 Ų
Heavy Atom Count60
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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