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Efaproxiral

Efaproxiral structure

CAS No:
131179-95-8
Formula:
C20H23NO4
Chemical Name:
Efaproxiral
Synonyms:
Propanoic acid,2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methyl-;2-[4-[2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methylpropanoic acid;RSR 13;2-[4-[[[(3,5-Dimethylphenyl)amino]carbonyl]methyl]phenoxy]-2-methylpropionic acid;Efaproxiral;2-[4-[(3,5-Dimethylanilino carbonyl)methyl]phenoxy]-2-methylpropionic acid
Categories:
Organic Chemistry > Amides

Description

Off-White to Tan Solid

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)

Efaproxiral Basic Attributes

Molecular Weight：

341.4

Exact Mass：

341.40

EC Number：

1806241-263-5

UNII：

J81E81G364

DSSTox ID：

DTXSID40156934

NCI Thesaurus Code：

C1435

ATC Code：

L - Antineoplastic and immunomodulating agents

HScode：

2924299090

Characteristics

PSA：

75.6

XLogP3：

3.79960

Density：

1.202±0.06 g/cm3(Predicted)

Melting Point：

138-139 °C @ Solvent: Heptane

Boiling Point：

554.5±50.0 °C(Predicted)

Flash Point：

289.2ºC

Refractive Index：

1.597

Storage Conditions：

Refrigerator

Drug Information

MeSH：

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)|Agents used to prevent or reverse the pathological events leading to sickling of erythrocytes in sickle cell conditions. (See all compounds classified as Antisickling Agents.)

MeSH Entry Terms：

2-(4-(2-((3,5-dimethylphenyl)amino)-2-oxoethyl)phenoxy)-2-methylpropanoic acid

Efaproxiral Use and Manufacturing

Allosteric modifier of hemoglobin (HB). Binds in the central water cavity of the Hb molecule causing a conformational change such that bound oxygen is released more readily. Antineoplastic adjunct (radiosensitizer).

Computed Properties

Molecular Weight:341.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:341.16270821
Monoisotopic Mass:341.16270821
Topological Polar Surface Area:75.6
Heavy Atom Count:25
Complexity:458
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Efaproxiral

CAS No.: 131179-95-8

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