YU238259 - 10mM in DMSO , CAS No.1943733-16-1

CAS: 1943733-16-1 Cat. No.: Y422374 분자식: C₂₂H₂₂ClN₃O₄S 분자량: 459.95 PubChem CID: 121473004

등급 & 순도 10mM in DMSO

Synonyms

Benzamide,N-​[2-​(5-​chloro-​2-​pyridinyl)​ethyl]​-​4-​[[[(4-​methoxyphenyl)​sulfonyl]​amino]​methyl]​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

YU238259 YU238259 is a novel inhibitor of homology-dependent DNA repair(HDR) , but does not inhibit non-homologous end-joining (NHEJ), in cell-based GFP reporter assays.

Targets

HDR

In vitro

YU238259 exhibits potent synthetic lethality in the setting of DNA damage response and DNA repair defects. Treatment with YU238259 is not only synergistic with ionizing radiation (IR), etoposide, and PARP inhibition, but this synergism is heightened by BRCA2-deficiency. Synthetic lethality of YU238259 in HDR-deficient cells results from accumulation of unresolved DSBs following additional inhibition of residual HDR pathway activity. Inhibition of HDR activity by YU238259 has little to no effect on the NHEJ pathway. YU238259 sensitizes tumor cells to radiation therapy and DSB-inducing chemotherapy .

In vivo

Growth of BRCA2-deficient human tumor xenografts in nude mice is significantly delayed by YU238259 treatment even in the absence of concomitant DNA-damaging therapy.

Cell Research(from reference)

Cell lines：U2OS cells 

Concentrations：25 μM 

Incubation Time：1 h 

사양

동의어

Benzamide,N-​[2-​(5-​chloro-​2-​pyridinyl)​ethyl]​-​4-​[[[(4-​methoxyphenyl)​sulfonyl]​amino]​methyl]​-

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

YU238259 is a novel inhibitor of homology-dependent DNA repair(HDR), but does not inhibit non-homologous end-joining (NHEJ), in cell-based GFP reporter assays.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

3.076

HBD 수

2

회전 가능한 결합

9

이름과 식별자

Pubchem Sid

528768543

정식 스마일

COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=NC=C(C=C3)Cl

IUPAC Name

N-[2-(5-chloropyridin-2-yl)ethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide

InChIKey

BIHURSOREGLQBB-UHFFFAOYSA-N

INCHI

1S/C22H22ClN3O4S/c1-30-20-8-10-21(11-9-20)31(28,29)26-14-16-2-4-17(5-3-16)22(27)24-13-12-19-7-6-18(23)15-25-19/h2-11,15,26H,12-14H2,1H3,(H,24,27)

PubChem CID

121473004

분자량

459.95

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzamides Polyhalopyridines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Methylpyridines Alkyl aryl ethers 2-halopyridines N-acyl amines Sulfonyls Secondary ketimines Organosulfonic acids and derivatives Heteroaromatic compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Methoxybenzene - Polyhalopyridine - Phenol ether - Benzoyl - Anisole - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Pyridine - N-acyl-amine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary ketimine - Ketimine - Carboxamide group - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: Not available

Data sources

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

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 91
• DMSO(mM) 최대 용해도: 197.8475921
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 459.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 459.102 Da
• Monoisotopic Mass: 459.102 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 656.000
• 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