Determine the necessary mass, volume, or concentration for preparing a solution.
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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E125270-10mg | 10mg | In stock | $9.90 | |
E125270-50mg | 50mg | In stock | $15.90 | |
E125270-250mg | 250mg | In stock | $45.90 | |
E125270-1g | 1g | In stock | $127.90 | |
E125270-5g | 5g | In stock | $383.90 |
Potent COMT inhibitor; blocks α-synuclein aggregation
Synonyms | (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide | 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide | (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide |
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Specifications & Purity | Moligand™, ≥98% |
Biochemical and Physiological Mechanisms | Potent catecholO-methyltransferase (COMT) inhibitor (IC50values are 14.3, 20.1 and 73.3 nM for rat liver soluble COMT, total COMT and membrane-bound COMT respectively). Increases bioavailability of levodopa when given as an adjunct therapy for Parkinson's |
Storage Temp | Store at 2-8°C,Argon charged |
Shipped In | Wet ice |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Catechol O-methyltransferase inhibitor |
Note | 250mg卖完停产,不再备货 |
Product Description | Entacapone inhibits catechol-O-methyltransferase(COMT) with IC50 of 151 nM. |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Pubchem Sid | 488195229 |
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Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195229 |
IUPAC Name | (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide |
INCHI | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ |
InChi Key | JRURYQJSLYLRLN-BJMVGYQFSA-N |
Canonical SMILES | CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N |
Isomeric SMILES | CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N |
WGK Germany | 3 |
Alternate CAS | 116314-67-1 |
PubChem CID | 5281081 |
Molecular Weight | 305.29 |
PubChem CID | 5281081 |
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CAS Registry No. | 130929-57-6 |
DrugBank Ligand | DB00494 |
ChEMBL Ligand | CHEMBL953 |
Wikipedia | Entacapone |
RCSB PDB Ligand | PD9 |
Reactome Reaction | R-HSA-9679775 |
Reactome Drug | R-ALL-9679840 |
DrugCentral Ligand | 1018 |
PubChem SID | 488195229 |
Enter Lot Number to search for COA:
Find and download the COA for your product by matching the lot number on the packaging.
Lot Number | Certificate Type | Date | Item |
---|---|---|---|
G2403529 | Certificate of Analysis | Jun 12, 2024 | E125270 |
G2403530 | Certificate of Analysis | Jun 12, 2024 | E125270 |
E2304022 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304034 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304049 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304055 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304123 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304126 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304132 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304137 | Certificate of Analysis | Mar 16, 2023 | E125270 |
E2304138 | Certificate of Analysis | Mar 16, 2023 | E125270 |
G1502198 | Certificate of Analysis | Jan 09, 2023 | E125270 |
Solubility | Solvent:DMSO, Max Conc. mg/mL: 30.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.05, Max Conc. mM: 10 |
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Sensitivity | Air sensitive,Heat sensitive |
Melt Point(°C) | 162 °C |
Pictogram(s) | GHS07 |
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Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H413:May cause long lasting harmful effects to aquatic life H302:Harmful if swallowed H332:Harmful if inhaled |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
WGK Germany | 3 |
Starting at $125.90
1. Liangliang Zhu, Hui Lv, Ling Xiao, Yanyao Hou, Wenjuan Li, Guangbo Ge, Chunzhi Ai. (2023) Diverse effects of α-/β-estradiol on catalytic activities of human UDP-glucuronosyltransferases (UGT). JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY, 225 (106196). [PMID:36181991] [10.1016/j.jsbmb.2022.106196] |
2. X. Cui, Y. Zhou, Y. Zheng, L. Cao, L. Gao, J. Duan, H. Yin, S. Ai. (2022) Investigation of the enhanced photoactivity of CdS/Bi2MoO6/MoSe2 and its application in antibody-free enzyme-assisted photoelectrochemical strategy for detection of N6-methyladenosine and FTO protein. Materials Today Nano, 20 (100269). [PMID:] [10.1016/j.mtnano.2022.100269] |
3. Ling Xiao, Dehui Chi, Guiju Sheng, Wenjuan Li, Penghui Lin, Sicheng Liang, Liangliang Zhu, Peipei Dong. (2020) Inhibitory effects of UDP-glucuronosyltransferase (UGT) typical ligands against E. coli beta-glucuronidase (GUS). RSC Advances, 10 (39): (22966-22971). [PMID:35520305] [10.1039/D0RA02311F] |
4. Xia Lv, Xin-Xin Wang, Jie Hou, Zhong-Ze Fang, Jing-Jing Wu, Yun-Feng Cao, Shu-Wen Liu, Guang-Bo Ge, Ling Yang. (2016) Comparison of the inhibitory effects of tolcapone and entacapone against human UDP-glucuronosyltransferases. TOXICOLOGY AND APPLIED PHARMACOLOGY, 301 (42). [PMID:27089846] [10.1016/j.taap.2016.04.009] |
1. Liangliang Zhu, Hui Lv, Ling Xiao, Yanyao Hou, Wenjuan Li, Guangbo Ge, Chunzhi Ai. (2023) Diverse effects of α-/β-estradiol on catalytic activities of human UDP-glucuronosyltransferases (UGT). JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY, 225 (106196). [PMID:36181991] [10.1016/j.jsbmb.2022.106196] |
2. X. Cui, Y. Zhou, Y. Zheng, L. Cao, L. Gao, J. Duan, H. Yin, S. Ai. (2022) Investigation of the enhanced photoactivity of CdS/Bi2MoO6/MoSe2 and its application in antibody-free enzyme-assisted photoelectrochemical strategy for detection of N6-methyladenosine and FTO protein. Materials Today Nano, 20 (100269). [PMID:] [10.1016/j.mtnano.2022.100269] |
3. Ling Xiao, Dehui Chi, Guiju Sheng, Wenjuan Li, Penghui Lin, Sicheng Liang, Liangliang Zhu, Peipei Dong. (2020) Inhibitory effects of UDP-glucuronosyltransferase (UGT) typical ligands against E. coli beta-glucuronidase (GUS). RSC Advances, 10 (39): (22966-22971). [PMID:35520305] [10.1039/D0RA02311F] |
4. Xia Lv, Xin-Xin Wang, Jie Hou, Zhong-Ze Fang, Jing-Jing Wu, Yun-Feng Cao, Shu-Wen Liu, Guang-Bo Ge, Ling Yang. (2016) Comparison of the inhibitory effects of tolcapone and entacapone against human UDP-glucuronosyltransferases. TOXICOLOGY AND APPLIED PHARMACOLOGY, 301 (42). [PMID:27089846] [10.1016/j.taap.2016.04.009] |