2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one - ≥97% , CAS No.925206-65-1

CAS: 925206-65-1 Cat. No.: B178252 Molecular Weight: 268.02
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone | RRX-001 | 2-BROMO-1-(3,3-DINITROAZETIDIN-1-YL)ETHAN-1-ONE ABDNAZ
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
B178252-1mg
2

$18.90

$28.90
Save $10.00 (34.60%)
5mg
B178252-5mg
3

$40.90

$61.90
Save $21.00 (33.93%)
25mg
B178252-25mg
2

$111.90

$167.90
Save $56.00 (33.35%)
10mg
B178252-10mg
3

$50.90

$76.90
Save $26.00 (33.81%)
50mg
B178252-50mg
1

$123.90

$185.90
Save $62.00 (33.35%)
100mg
B178252-100mg
1
$999.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% 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.

Overview

Product Describtion:

RRx-001, a hypoxia-selective epigenetic agent and studied as a radio- and chem-sensitizer, triggers apoptosis and overcomes drug resistance in myeloma. RRx-001 exhibits potent anti-tumor activity with minimal toxicity. RRx-001 is a dual small molecule checkpoint inhibitor by downregulating CD47 and SIRP-α. RRx-001 is a potent inhibitor of G6PD and shows potent antimalarial activity.

Specifications

Synonyms
2-Bromo-1-(3, 3-dinitroazetidin-1-yl)ethanone | RRX-001 | 2-BROMO-1-(3, 3-DINITROAZETIDIN-1-YL)ETHAN-1-ONE ABDNAZ
Specifications & Purity
≥97%
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
≥97%
Names and Identifiers
Pubchem Sid504767986
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504767986
Canonical SmilesC1C(CN1C(=O)CBr)([N+](=O)[O-])[N+](=O)[O-]
IUPAC Name2-bromo-1-(3,3-dinitroazetidin-1-yl)ethanone
InChIKeyJODKFOVZURLVTG-UHFFFAOYSA-N
INCHI1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2
Isomeric SMILES C1C(CN1C(=O)CBr)([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight 268.02
Reaxy-Rn 12756668
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12756668&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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid amides
Direct ParentTertiary carboxylic acid amides
Alternative Parents C-nitro compounds  Azetidines  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organonitrogen compounds  Organobromides  Organic salts  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl bromides  Organic cations  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Tertiary carboxylic acid amide - Azetidine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl bromide - Alkyl halide - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IMR-32 (1082 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RKO (1376 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-87 MG (3946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UMSCC22B (15 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M21 (1715 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-75 (44215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCC-7 (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stomach (551 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Whole blood (71 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

25 results found

Lot NumberCertificate TypeDateItem
I2407044Certificate of AnalysisJun 11, 2026 B178252
K2208079Certificate of AnalysisJun 11, 2026 B178252
F2624244Certificate of AnalysisMay 12, 2026 B178252
F2624245Certificate of AnalysisMay 12, 2026 B178252
F2624243Certificate of AnalysisMay 12, 2026 B178252
F2624242Certificate of AnalysisMay 12, 2026 B178252
C2412113Certificate of AnalysisDec 09, 2025 B178252
C2412107Certificate of AnalysisDec 09, 2025 B178252
C2412108Certificate of AnalysisDec 09, 2025 B178252
C2412109Certificate of AnalysisDec 09, 2025 B178252
C2412110Certificate of AnalysisDec 09, 2025 B178252
C2412111Certificate of AnalysisDec 09, 2025 B178252
C2412114Certificate of AnalysisDec 09, 2025 B178252
G2522179Certificate of AnalysisJul 11, 2025 B178252
G2522220Certificate of AnalysisJul 11, 2025 B178252
G2522221Certificate of AnalysisJul 11, 2025 B178252
D2526057Certificate of AnalysisAug 26, 2024 B178252
I2407033Certificate of AnalysisAug 26, 2024 B178252
I2407040Certificate of AnalysisAug 26, 2024 B178252
I2407048Certificate of AnalysisAug 26, 2024 B178252
C2412106Certificate of AnalysisMar 02, 2024 B178252
G2415292Certificate of AnalysisMar 02, 2024 B178252
C2412112Certificate of AnalysisMar 02, 2024 B178252
I2101170Certificate of AnalysisNov 13, 2023 B178252
I2101172Certificate of AnalysisNov 13, 2023 B178252

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Chemical and Physical Properties
Molecular Weight268.020 g/mol
XLogP30.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass266.949 Da
Monoisotopic Mass266.949 Da
Topological Polar Surface Area112.000 Ų
Heavy Atom Count14
Formal Charge0
Complexity273.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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