CB1954 (Tretazicar, NSC 115829) is a anticancer prodrug that is converted in the presence of the enzyme NQO2 and co-substrate caricotamide ( EP-0152R) (EP) into apotent cytotoxic bifunctional alkylating agent. It can be activated byNAD(P)H quinone oxidoreductase 2.

In vitro

The overexpression of nitroreductase oxidored nitro domain containing protein 1 (NOR1) is capable of converting the monofunctional alkylating agent CB1954 into a toxic form by reducing the 4 nitro group of CB1954 which is a potent cytotoxins. Toxic CB1954 enhances cells killing in the NPC cell line CNE1. the NOR1 gene enhances CB1954 mediated cell cytotoxicity through the upregulation of Grb2 expression and the activation of MAPK signal transduction in the HepG2 cell line

In vivo

The NTR/CB1954 system are used to specific ablation of cells in vivo. The effect of this inducible ablation system is dose-dependent. NTR-mediated cell killing by CB1954 does not require cell proliferation. The activated CB1954 cross-links DNA which presumably triggers the apoptosis cascade, resulting in rapid cell death. specific and effective cells killing by NTR-CB1954 does not require a functional p53.

Cell Research(from reference)

Concentrations：4-10 μmol/L

Application

CB 1954 has been used in drug-induced ablation studies.

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid	504755981
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755981
Canonical Smiles	C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]
IUPAC Name	5-(aziridin-1-yl)-2,4-dinitrobenzamide
InChIKey	WOCXQMCIOTUMJV-UHFFFAOYSA-N
INCHI	1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
Isomeric SMILES	C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]
Molecular Weight	252.18
Reaxy-Rn	5825582
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5825582&ln=

Documentation

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Dinitroanilines
Alternative Parents	Aminobenzamides Benzamides Phenylaziridines Indoles Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dinitroaniline - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Indole - Nitrobenzene - Phenylaziridine - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Aziridine - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro 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

3D Structure

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
E2619182	Certificate of Analysis	May 27, 2026	C413845
K2212503	Certificate of Analysis	May 11, 2026	C413845
K2212504	Certificate of Analysis	May 11, 2026	C413845
K2212508	Certificate of Analysis	May 11, 2026	C413845
K2212537	Certificate of Analysis	May 11, 2026	C413845

Solubility	DMSO (Slightly), Methanol (Slightly)
Boil Point(°C)	427.2±45.0° C at 760 mmHg
Melt Point(°C)	>160ºC (dec.)
Molecular Weight	252.180 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	252.049 Da
Monoisotopic Mass	252.049 Da
Topological Polar Surface Area	138.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	385.000
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

CB1954 - ≥98% , CAS No.21919-05-1

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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