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Basic Description
| Synonyms | 4-Methylesculetin | 529-84-0 | 6,7-DIHYDROXY-4-METHYLCOUMARIN | Methylesculetin | 6,7-Dihydroxy-4-methyl-2H-chromen-2-one | 4-Methylaesculetin | 4-Methylesculetol | 4-Methyl-6,7-dihydroxycoumarin | 6,7-dihydroxy-4-methylchromen-2-one | 6,7-Dihydroxy-4-methyl-2H-benzopyran- |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In | Ice chest + Ice pads |
Associated Targets(Human)
XDH Tclin Xanthine dehydrogenase (1038 Activities)
AKR1B1 Tclin Aldose reductase (1404 Activities)
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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
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SORD Tchem Sorbitol dehydrogenase (133 Activities)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
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U-937 (7138 Activities)
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MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
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Associated Targets(non-human)
Cruzipain (33337 Activities)
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rmlD dTDP-4-dehydrorhamnose reductase (49 Activities)
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SARS-CoV-2 (38078 Activities)
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Names and Identifiers
| IUPAC Name | 6,7-dihydroxy-4-methylchromen-2-one |
|---|---|
| INCHI | InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3 |
| InChi Key | KVOJTUXGYQVLAJ-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)O)O |
| Isomeric SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)O)O |
| RTECS | GN6384500 |
| PubChem CID | 5319502 |
| Molecular Weight | 192.17 |
| Beilstein | 18104 |
| Reaxy-Rn | 162550 |
Certificates
Certificate of Analysis(COA)
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Chemical and Physical Properties
| Melt Point(°C) | 275°C |
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Safety and Hazards(GHS)
| 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 |
| 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. 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. 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. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. 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. |
| RTECS | GN6384500 |
| Reaxy-Rn | 162550 |