Fodipir - ≥99% , CAS No.118248-91-2

CAS: 118248-91-2 Cat. No.: F646204 Formula: C₂₂H₃₂N₄O₁₄P₂ Molecular Weight: 638.46 PubChem CID: 60683

GRADE & PURITY ≥99%

Synonyms

DTXSID1043960 | Fodipir [USAN] | Fodipir [USAN:INN] | FODIPIR | Fodipir (USAN/INN) | HY-108869 | N,N'-1,2-ETHANEDIYLBIS(N-((3-HYDROXY-2-METHYL-5-((PHOSPHONOOXY)METHYL)-4-PYRIDINYL)METHYL)GLYCINE) | AKOS040744240 | UNII-P28BIW0UTB | SCHEMBL1004581 | N,N'-E

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Fodipir is an active metabolite of mangafodipir, involved in mangafodipir-mediated cytoprotection against 7β-hydroxycholesterol-induced cell death.

In Vitro

Fodipir is an active metabolite of mangafodipir, involved in mangafodipir-mediated cytoprotection against 7β-hydroxycholesterol-induced cell death. Fodipir (Dp-dp; Dipyridoxyl diphosphate; 100 μM) shows the best cytopretective effect on 7β-OH-mediated cell death after treatment for 8 h. Fodipir also reduces 7β-OH-induced cellular ROS production and lysosomal membrane permeabilization (LMP). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

DTXSID1043960 | Fodipir [USAN] | Fodipir [USAN:INN] | FODIPIR | Fodipir (USAN/INN) | HY-108869 | N,N'-1,2-ETHANEDIYLBIS(N-((3-HYDROXY-2-METHYL-5-((PHOSPHONOOXY)METHYL)-4-PYRIDINYL)METHYL)GLYCINE) | AKOS040744240 | UNII-P28BIW0UTB | SCHEMBL1004581 | N,N'-E

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Fodipir is an active metabolite of mangafodipir, involved in mangafodipir-mediated cytoprotection against 7β-hydroxycholesterol-induced cell death.

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

Canonical Smiles

CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)O)CC(=O)O)CC(=O)O)COP(=O)(O)O

IUPAC Name

2-[2-[carboxymethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]acetic acid

InChIKey

SQKUFYLUXROIFM-UHFFFAOYSA-N

INCHI

1S/C22H32N4O14P2/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38)

Isomeric SMILES

CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)O)CC(=O)O)CC(=O)O)COP(=O)(O)O

Alternate CAS

118248-91-2

PubChem CID

60683

MeSH Entry Terms

Ca4Mn(DPDP)5;calmangafodipir;DPDP;mangafodipir;mangafodipir trisodium;mangafodipir trisodium, anhydrous;manganese dipyridoxyl diphosphate;manganese-DPDP;Mn-DPDP;N,N'-bis(pyridoxal-5-phosphate)ethylenediamine-N,N'-diacetic acid;Teslascan

Molecular Weight

638.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridoxamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridoxamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridoxamine 5'-phosphates
• Alternative Parents: Alpha amino acids Monoalkyl phosphates Methylpyridines Hydroxypyridines Aralkylamines Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridoxamine 5'-phosphate - Alpha-amino acid - Alpha-amino acid or derivatives - Methylpyridine - Hydroxypyridine - Monoalkyl phosphate - Aralkylamine - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridoxamine 5'-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5'-position.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Solubility: H2O : 18.18 mg/mL (28.47 mM; Need ultrasonic)
• Molecular Weight: 638.500 g/mol
• XLogP3: -8.100
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 17
• Exact Mass: 638.139 Da
• Monoisotopic Mass: 638.139 Da
• Topological Polar Surface Area: 281.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 907.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 118248-91-2, the molecular formula is C22H32N4O14P2, and the molecular weight is 638.46 g/mol. InChIKey SQKUFYLUXROIFM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.