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Efaproxiral (Standard)

CAT: 0804-HY-13619R-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13619R-02Size:10 mg
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Description
Efaproxiral (Standard) is the analytical standard of Efaproxiral. This product is intended for research and analytical applications. Efaproxiral is a haemoglobin (Hb) synthetic allosteric modifier, decreases Hb-oxygen (O2) binding affinity and enhances oxygenation of hypoxic tumours during radiation therapy [1].
CAS Number
131179-95-8
UNSPSC
12352100
Target
Reactive Oxygen Species (ROS) ; Reference Standards
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB; Others
Field of Research
Cancer
Smiles
CC(C)(OC1=CC=C(CC(NC2=CC(C)=CC(C)=C2)=O)C=C1)C(O)=O
Molecular Formula
C20H23NO4
Molecular Weight
341.40
References & Citations
[1]Stea B, et al. Efaproxiral red blood cell concentration predicts efficacy in patients with brain metastases. Br J Cancer. 2006 Jun 19;94 (12) :1777-1784.|[2]Abraham DJ, et al. Allosteric modifiers of hemoglobin: 2-[4-[[ (3,5-disubstituted anilino) carbonyl]methyl]phenoxy]-2-methylpropionic acid derivatives that lower the oxygen affinity of hemoglobin in red cell suspensions, in whole blood, and in vivo in rats. Biochemistry. 1992 Sep 29;31 (38) :9141-9.|[3]Hou H, et al. The effects of Efaproxyn (efaproxiral) on subcutaneous RIF-1 tumor oxygenation and enhancement of radiotherapy-mediated inhibition of tumor growth in mice. Radiat Res. 2007 Aug;168 (2) :218-25.|[4]Hou H, et al. Increased oxygenation of intracranial tumors by efaproxyn (efaproxiral), an allosteric hemoglobin modifier: In vivo EPR oximetry study. Int J Radiat Oncol Biol Phys. 2005 Apr 1;61 (5) :1503-9.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Efaproxiral

Efaproxiral is a synthetic small molecule with radiosensitizing activity. Efaproxiral increases oxygen levels in hypoxic tumor tissues by binding non-covalently to the hemoglobin tetramer and decreasing hemoglobin-oxygen binding affinity. Increasing tumor oxygenation reduces tumor radioresistance. (NCI04)

CAS Number131179-95-8
PubChem CID122335
IUPAC Name2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
Molecular FormulaC20H23NO4
Molecular Weight341.4
XLogP3.6
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity458
SMILES
CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C
InChI
InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
BNFRJXLZYUTIII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Efaproxiral
CAS: 131179-95-8
CID: 122335
Formula: C20H23NO4
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass341.16270821
Monoisotopic Mass341.16270821
Topological Polar Surface Area75.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity458
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

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