Apaziquone - ≥95% , DNA inhibitor, CAS No.114560-48-4, DNA inhibitor

CAS: 114560-48-4 Cat. No.: A353537 Peso molecular: 288.3

COA

Saltar al final de la galería de imágenes

Apaziquone - ≥95% CAS No(114560-48-4) by Aladdin Scientific

Saltar al comienzo de la galería de imágenes

Disponible para pedir

GRADE & PURITY ≥95%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Sinónimos

Especificaciones y pureza

≥95%

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

Mecanismo de acción

DNA inhibitor

Pureza

≥95%

Propiedades del producto

ALogP	-0.5

Nombres e identificadores

Sonrisas canónicas	CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C=CCO
IUPAC Name	5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
InChIKey	MXPOCMVWFLDDLZ-NSCUHMNNSA-N
INCHI	1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+
Isómeros SMILES	CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)/C=C/CO
Peso molecular	288.3
Reaxy-Rn	8858599
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8858599&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 Organoheterocyclic compounds
  - Clase Indoles and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Indoles and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Indoles and derivatives
Alternative Parents	Aryl ketones N-methylpyrroles Vinylogous amides N-vinylaziridines Heteroaromatic compounds Trialkylamines Enamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole or derivatives - Aryl ketone - N-methylpyrrole - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - N-vinylaziridine - Vinylaziridine - Ketone - Tertiary amine - Tertiary aliphatic amine - Enamine - Aziridine - Azacycle - Amine - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
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)

NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Peso molecular	288.300 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	288.111 Da
Monoisotopic Mass	288.111 Da
Topological Polar Surface Area	82.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	524.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1