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Fodipir (Standard)

CAT: 0804-HY-108869RSize: 1 EachDry Ice: NoHazardous: No
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Description
Malvidin (chloride) (Standard) is the analytical standard of Malvidin (chloride) . This product is intended for research and analytical applications. Malvidin (chloride) is a bioactive compound isolated from grape. Malvidin shows cytotoxicity through the arrest of the G2/M phase of cell cycle and induction of apoptosis. Malvidin can be used for the research of cancer[1].
CAS Number
118248-91-2
Product Name Alternative
DPDP (Standard)
UNSPSC
12352005
Target
Drug Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Inflammation/Immunology
Smiles
CC1=NC=C(COP(O)(O)=O)C(CN(CC(O)=O)CCN(CC(C(COP(O)(O)=O)=CN=C2C)=C2O)CC(O)=O)=C1O
Molecular Formula
C22H32N4O14P2
Molecular Weight
638.46
References & Citations
[1]Laskar A, et al. Fodipir and its dephosphorylated derivative dipyridoxyl ethyldiamine are involved in mangafodipir-mediated cytoprotection against 7β-hydroxycholesterol-induced cell death. Pharmacology. 2013;92 (3-4) :182-6.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Fodipir
CAS Number118248-91-2
PubChem CID60683
IUPAC Name2-[2-[carboxymethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]ethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]acetic acid
Molecular FormulaC22H32N4O14P2
Molecular Weight638.5
XLogP-8.1
Topological Polar Surface Area281
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count17
Heavy Atom Count42
Formal Charge0
Complexity907
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
InChI
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)
InChIKey
SQKUFYLUXROIFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fodipir
CAS: 118248-91-2
CID: 60683
Formula: C22H32N4O14P2
MW: 638.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight638.5
XLogP3-8.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count17
Exact Mass638.13902570
Monoisotopic Mass638.13902570
Topological Polar Surface Area281 Ų
Heavy Atom Count42
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes