ChemicalBook--->CAS DataBase List--->1648707-58-7

1648707-58-7

1648707-58-7 Structure

1648707-58-7 Structure
IdentificationBack Directory
[Name]

UNC2170 Maleate
[CAS]

1648707-58-7
[Synonyms]

UNC-2170
UNC-2170 HCl
UNC2170 Maleate
UNC2170 trifluoroacetate
3-Bromo-N-(3-(tert-butylamino)propyl)benzamide
Benzamide, 3-bromo-N-[3-[(1,1-dimethylethyl)amino]propyl]-
[Molecular Formula]

C14H21BrN2O
[MDL Number]

MFCD29770818
[MOL File]

1648707-58-7.mol
[Molecular Weight]

313.23
Chemical PropertiesBack Directory
[Boiling point ]

419.6±30.0 °C(Predicted)
[density ]

1.233±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in DMSO (up to 40 mg/ml) or in Water (up to 50 mg/ml).
[form ]

solid
[pka]

14.63±0.46(Predicted)
[color ]

White
[Stability:]

Stable for 1 year from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20°C for up to 3 months.
[InChI]

1S/C14H21BrN2O.C2HF3O2/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11;3-2(4,5)1(6)7/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18);(H,6,7)
[InChIKey]

DPAGQICQYYQSQP-UHFFFAOYSA-N
[SMILES]

BrC1=CC=CC(C(NCCCNC(C)(C)C)=O)=C1.FC(F)(C(O)=O)F
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Description]

UNC-2170 (1648707-58-7), identified by screening, was found to be a μM ligand for 53BP1 which also demonstrated at least 17-fold selectivity for 53BP1 over other methyl-lysine binding proteins. The DNA damage response protein 53BP1 utilizes its tandem tudor domain to recognize dimethylated lysine 20 on histone (H4K20me2), a modification associated with double-strand DNA breaks. UNC-2170 functions as a 53BP1 antagonist in cell lysates and suppresses class switch recombination in whole cells, a process requiring a functioning 53BP1 tudor domain.1
[Uses]

UNC-2170 is a functionally active, fragment-like ligand for 53BP1 (IC50=29 μM; Kd=22 μM). 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)[1].
[storage]

4°C, protect from light
[References]

1) Perfetti?et al.?(2015),?Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein 53BP1; ACS Chem. Biol.,?10?1072
Spectrum DetailBack Directory
[Spectrum Detail]

UNC2170 Maleate(1648707-58-7)1HNMR
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