Epalrestat
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Epalrestat
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CAS No:
82159-09-9
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Formula:
C15H13NO3S2
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Chemical Name:
Epalrestat
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Synonyms:
3-Thiazolidineacetic acid,5-[(2E)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-,(5Z)-;3-Thiazolidineacetic acid,5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-,(Z,E)-;3-Thiazolidineacetic acid,5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-,(5Z)-;(5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid;ONO 2235;Epalrestat;Kinedak;Sorbistat;Eabeth;2-[(Z)-5-((E)-2-Methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl]acetic acid;125654-73-1
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Categories:
Active Pharmaceutical Ingredients > Hormones and the Endocrine System
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CAS No:
Description
Epalrestat is an aldose reductase inhibitor for the treatment of diabetic neuropathy.Target: Aldose ReductaseEpalrestat may affect or delay progression of the underlying disease process. Data from six clinical trials were evaluated, and it was determined that epalrestat 50 mg 3 times/day may improve motor and sensory nerve conduction velocity and subjective neuropathy symptoms as compared with baseline and placebo. Epalrestat may serve as a new therapeutic option to prevent or slow the p
Epalrestat is a monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. It has a role as an EC 1.1.1.21 (aldehyde reductase) inhibitor. It is a member of thiazolidines and a monocarboxylic acid.|Epalrestat is under investigation in clinical trial NCT03244358 (Evaluation of Epalrestat in Metastatic Triple-negative Breast Cancer).|Epalrestat is an orally available, a non-competitive, reversible inhibitor of aldose reductase (AR), with potential antineoplastic, antioxidant, and anti-inflammatory activities. Upon oral administration, epalrestat non-competitively binds to AR, a polyol pathway enzyme that catalyzes reactive oxygen species (ROS)-initiated lipid peroxidation-generated lipid aldehydes and their glutathione conjugates, which have been implicated in the activation of transcription factors such as nuclear factor kappa-light-chain-enhancer of activated B cells (NF-kappa B) and activator protein-1 (AP-1), which control the transcription of many inflammatory cytokines. Increased inflammatory cytokines and growth factors promote cell proliferation, a primary feature in the tumorigenesis process. AR is overexpressed in several oxidative stress- and inflammation-related conditions, including cancer.
Characteristics
115
3.8
yellow to orange
1.4±0.1 g/cm3
210-217 °C
516.8°C at 760 mmHg
266.4±32.9 °C
1.706
DMSO: soluble5mg/mL, clear (warmed)
-20°C Freezer
Oral-rat LD50: 5.3 mg/kg; Intravenous-Mouse LD50: 0.255 mg/kg
Combustible, fires emit nitrogen oxides, sulfur oxides pungently stimulate smoke
Safety Information
II
6.1
2811
3
XJ5131855
Ventilated, low temperature and dry; stored separately from food materials in warehouse
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H300
|Danger|H300 (50%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine
Epalrestat Use and Manufacturing
An aldose reductase inhibitor. It is used in treatment of diabetic neuropathy.
Computed Properties
Molecular Weight:319.4
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:319.03368562
Monoisotopic Mass:319.03368562
Topological Polar Surface Area:115
Heavy Atom Count:21
Complexity:519
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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