Dexrazoxane HCl (ICRF-187, ADR-529) - ≥99% , CAS No.149003-01-0

CAS: 149003-01-0 Cat. No.: D129340 Molecular Weight: 304.73

GRADE & PURITY ≥99%

Synonyms

p,p-Methoxychlor olefin | Q27121988 | Dexrazoxane HCl (ICRF-187, ADR-529) | Dexrazoxane for Injection | TopoTect | Cardioxane hydrochloride | D07807 | Dexrazoxane hydrochloride [ORANGE BOOK] | ICRF 187 hydrochloride | UNII-5346058Q7S | 4,4'-(2S)-propane-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dexrazoxane HCl(ICRF-187, ADR-529) is a cardioprotective agent.

Specifications

Synonyms

p, p-Methoxychlor olefin | Q27121988 | Dexrazoxane HCl (ICRF-187, ADR-529) | Dexrazoxane for Injection | TopoTect | Cardioxane hydrochloride | D07807 | Dexrazoxane hydrochloride [ORANGE BOOK] | ICRF 187 hydrochloride | UNII-5346058Q7S | 4, 4'-(2S)-propane-1

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Dexrazoxane hydrochloride is a cardioprotective agent. As a derivative of EDTA, dexrazoxane chelates iron, thus reduce the number of metal ions complexed with anthracycline and, consequently, decrease the formation of superoxide radicals. This agent is us

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504764353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764353
• Canonical Smiles: CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.Cl
• IUPAC Name: 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;hydrochloride
• InChIKey: BIFMNMPSIYHKDN-FJXQXJEOSA-N
• INCHI: 1S/C11H16N4O4.ClH/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14;/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19);1H/t7-;/m0./s1
• Isomeric SMILES: C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.Cl
• Alternate CAS: 1263283-43-7
• Molecular Weight: 304.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Dioxopiperazines N-alkylpiperazines N-unsubstituted carboxylic acid imides Dicarboximides Trialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dioxopiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic zwitterion - Hydrochloride - Organic nitrogen compound - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: hydrochloride

Data sources

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

Associated Targets(Human)

ENGASE Tchem Endo-beta-N-acetylglucosaminidase (63 Activities)

Discover Target: ENGASE

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 61 mg/mL Water 61 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 304.730 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 304.094 Da
• Monoisotopic Mass: 304.094 Da
• Topological Polar Surface Area: 98.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 404.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

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