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Chemical structure of UNC-2170

GC63792

UNC-2170

Also known as 3-bromo-N-[3-(tert-butylamino)propyl]benzamide

UNC-2170 is a functionally active, fragment-like ligand for 53BP1 (IC50=29 ?M; Kd=22 ?M)· UNC-2170 shows at least 17-fold selectivity for 53BP1 as compared to nine other methyl-lysine (Kme) reader proteins· 53BP1 is a Kme binding protein that plays a central role in DNA Damage Repair (DDR) pathways and is recruited to sites of double-strand breaks (DSB)

ChemicalCAS1648707-58-7MW313.23FormulaC14H21BrN2O
CAS number
1648707-58-7
Molecular weight
313.23
Formula
C14H21BrN2O
Solubility
Methanol ： 125 mg/mL (399·07 mM; Need ultrasonic)|DMSO ： 100 mg/mL (319·25 mM; Need ultrasonic)
InChIKey
XUFUVCIZFNREBI-UHFFFAOYSA-N
Catalogue number
GC63792
Brand
GLPBIO
Computed properties PubChem CID 78673861 · XLogP 2.8 · TPSA 41.1 Ų · H-bond donors 2
XLogP
2.8
TPSA
41.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
18

SMILES CC(C)(C)NCCCNC(=O)C1=CC(=CC=C1)Br

Computed descriptors from PubChem (CID 78673861), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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