UNC6852

CAT: 1568-C14392-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C14392-5mgSize:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2688842-08-0

Target

Epigenetic Reader Domain

Applications

Epigenetics

Smiles

CC1=C (SC=N1) C2=CC=C (CNC (=O) C3CC (O) CN3C (=O) C (NC (=O) CCCNC (=O) C4=CC=C (C=C4) C5=CN=C (NCC6=CC=CO6) [N]7C=NN=C57) C (C) (C) C) C=C2

Molecular Formula

C43H48N10O6S

Additionnal Information

UNC6852 is a selective degrader that targets polycomb repressive complex 2 (PRC2) with IC50 of 247 nM for EED. UNC6852 is based on PROTAC and contains an EED226-derived ligand and a ligand for VHL.

Storage Conditions

3 years -20°C powder

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 Number	2688842-08-0
PubChem CID	146014466
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 Formula	C43H48N10O6S
Molecular Weight	833.0
XLogP	4.7
Topological Polar Surface Area	237
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Heavy Atom Count	60
Formal Charge	0
Complexity	1460

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

CAS: 2688842-08-0

CID: 146014466

Formula: C43H48N10O6S

MW: 833.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	833.0
XLogP3	4.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Exact Mass	832.34790046
Monoisotopic Mass	832.34790046
Topological Polar Surface Area	237 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1460
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T13954-01	UNC6852
A23944-5	UNC6852 5mg
A23944-50	UNC6852 50mg
A23944-10	UNC6852 10mg
A23944-100	UNC6852 100mg

UNC6852

Chemical Information

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