NSC 617145 - ≥98%(HPLC) , CAS No.203115-63-3

CAS: 203115-63-3 Cat. No.: N287960 Peso molecular: 400.04 Número EC: 809-054-7

COA

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NSC 617145 - ≥98%(HPLC) CAS No(203115-63-3) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%(HPLC)

Synonyms

NCI60_005124 | AS-16510 | EX-A5305 | NCGC00402281-06 | SY309948 | NSC617145 | NSC-617145 | 1,1'-(2,2-Dimethylpropane-1,3-diyl)bis(3,4-dichloro-1H-pyrrole-2,5-dione) | NSC 617145 | 3,4-dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]py

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

NCI60_005124 | AS-16510 | EX-A5305 | NCGC00402281-06 | SY309948 | NSC617145 | NSC-617145 | 1, 1'-(2, 2-Dimethylpropane-1, 3-diyl)bis(3, 4-dichloro-1H-pyrrole-2, 5-dione) | NSC 617145 | 3, 4-dichloro-1-[3-(3, 4-dichloro-2, 5-dioxopyrrol-1-yl)-2, 2-dimethylpropyl]py

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Werner syndrome helicase (WRN) helicase inhibitor (IC50= 250 nM); acts synergistically withMitomycin C to induce double-strand breaks and chromosomal abnormalitiesin vitro.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

Pubchem Sid	504758583
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758583
Sonrisas canónicas	CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl
IUPAC Name	3,4-dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione
InChIKey	PCOXPBOKDABARQ-UHFFFAOYSA-N
INCHI	1S/C13H10Cl4N2O4/c1-13(2,3-18-9(20)5(14)6(15)10(18)21)4-19-11(22)7(16)8(17)12(19)23/h3-4H2,1-2H3
Isómeros SMILES	CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl
WGK Alemania	3
Peso molecular	400.04
Reaxy-Rn	38146318
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38146318&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Clase Organonitrogen compounds
    - Subclass Nitrogen mustard compounds

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Clase	Organonitrogen compounds
Subclass	Nitrogen mustard compounds
Intermediate Tree Nodes	Not available
Direct Parent	Nitrogen mustard compounds
Alternative Parents	Maleimides N-substituted carboxylic acid imides Vinylogous halides Pyrrolines Dicarboximides Vinyl chlorides Chloroalkenes Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Nitrogen mustard - Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Vinylogous halide - Carboxylic acid derivative - Azacycle - Vinyl chloride - Vinyl halide - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
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

Estructura 3D

Objetivos asociados (humanos)

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
F2229494	Certificate of Analysis	Apr 03, 2025	N287960
F2229495	Certificate of Analysis	Apr 03, 2025	N287960
F2229496	Certificate of Analysis	Apr 03, 2025	N287960

Solubilidad	Solvent:DMSO, Max Conc. mg/mL: 8, Max Conc. mM: 20
Peso molecular	400.000 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	399.937 Da
Monoisotopic Mass	397.939 Da
Topological Polar Surface Area	74.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	605.000
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