UPF 1069 is a selective PARP2 inhibitor with IC50 of 0.3 μM. It is ~27-fold selective against PARP1.
A selective poly(ADP-ribose) polymerase (PARP) 2 inhibitor.

사양

동의어

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

In organotypic hippocampal slices, PARP-2 inhibition with UPF-1069 (0.01-1 micromolxL(-1)) caused a concentration-dependent exacerbation (up to 155%) of OGD-induced CA1 pyramidal cell death. Higher concentrations, acting on both PARP-1 and PARP-2, had no

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Store at -20°C

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순수함

≥98%

이름과 식별자

Pubchem Sid

528767593

정식 스마일

C1=CC=C(C=C1)C(=O)COC2=CC=CC3=C2C=CNC3=O

IUPAC Name

5-phenacyloxy-2H-isoquinolin-1-one

InChIKey

JJWMRRNGWSITSQ-UHFFFAOYSA-N

INCHI

1S/C17H13NO3/c19-15(12-5-2-1-3-6-12)11-21-16-8-4-7-14-13(16)9-10-18-17(14)20/h1-10H,11H2,(H,18,20)

이성체 SMILES

C1=CC=C(C=C1)C(=O)COC2=CC=CC3=C2C=CNC3=O

PubChem CID

25015515

분자량

279.29

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 분류 Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
분류	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Isoquinolones and derivatives Phenol ethers Benzoyl derivatives Aryl alkyl ketones Pyridinones Alkyl aryl ethers Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alkyl-phenylketone - Isoquinolone - Isoquinoline - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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리뷰

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용해성	DMSO 56 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
굴절률	1.62
끓는점(°C)	~570.3 °C at 760 mmHg
녹는점(°C)	166-168°C
분자량	279.290 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	279.09 Da
Monoisotopic Mass	279.09 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	426.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

UPF 1069 - ≥98% , CAS No.1048371-03-4

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