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

COA COA
    Grade & Purity:
  • ≥97%
In stock
Item Number
B178252
Grouped product items
SKU Size
Availability
 Price Qty
B178252-1mg
1mg
2
$45.90
B178252-5mg
5mg
3
$99.90
B178252-25mg
25mg
2
$279.90
B178252-10mg
10mg
3
$149.90
B178252-50mg
50mg
1
$489.90
B178252-100mg
100mg
1
$699.90
B178252-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,817.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Anti-infection (2803) Apoptosis (4276) Dehydrogenases (4) Inhibitors&Agonists (15) Metabolic Enzyme/Protease (4860) Parasite (997)

Basic Description

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 Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Carboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid amides
Direct Parent Tertiary 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 Framework Aliphatic 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
Description This 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

Associated Targets(Human)

A498 (42825 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IMR-32 (1082 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PANC-1 (6144 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RKO (1376 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U-87 MG (3946 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
UMSCC22B (15 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
M21 (1715 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SNB-75 (44215 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SCC-7 (114 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Blood (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Stomach (551 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Whole blood (71 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504767986
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504767986
IUPAC Name 2-bromo-1-(3,3-dinitroazetidin-1-yl)ethanone
INCHI InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2
InChIKey JODKFOVZURLVTG-UHFFFAOYSA-N
Smiles C1C(CN1C(=O)CBr)([N+](=O)[O-])[N+](=O)[O-]
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=

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.

18 results found

Lot Number Certificate Type Date Item
I2407033 Certificate of Analysis Aug 26, 2024 B178252
D2526057 Certificate of Analysis Aug 26, 2024 B178252
I2407040 Certificate of Analysis Aug 26, 2024 B178252
I2407048 Certificate of Analysis Aug 26, 2024 B178252
I2407044 Certificate of Analysis Aug 26, 2024 B178252
C2412106 Certificate of Analysis Mar 02, 2024 B178252
C2412107 Certificate of Analysis Mar 02, 2024 B178252
C2412108 Certificate of Analysis Mar 02, 2024 B178252
C2412109 Certificate of Analysis Mar 02, 2024 B178252
C2412110 Certificate of Analysis Mar 02, 2024 B178252
C2412111 Certificate of Analysis Mar 02, 2024 B178252
C2412112 Certificate of Analysis Mar 02, 2024 B178252
C2412113 Certificate of Analysis Mar 02, 2024 B178252
C2412114 Certificate of Analysis Mar 02, 2024 B178252
G2415292 Certificate of Analysis Mar 02, 2024 B178252
I2101170 Certificate of Analysis Nov 13, 2023 B178252
I2101172 Certificate of Analysis Nov 13, 2023 B178252
K2208079 Certificate of Analysis Nov 22, 2022 B178252

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Chemical and Physical Properties

Molecular Weight 268.020 g/mol
XLogP3 0.000
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 266.949 Da
Monoisotopic Mass 266.949 Da
Topological Polar Surface Area 112.000 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 273.000
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

Alternative Products

  1. 2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one
    2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one
    • 10mM in DMSO

    Starting at $185.90

Solution Calculators

Reviews

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