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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Efinaconazole Efinaconazole (KP-103) is an inhibitor of 14 alpha-demethylase which is involved in the biosynthesis of ergosterol, a constituent of fungal cell membranes.
Targets
14 alpha-demethylase
In vitro
In in vitro antifungal susceptibility tests, efinaconazole shows lower minimum inhibitory concentration (MIC) than terbinafine, ciclopirox, itraconazole and amorolfine.
In vivo
Efinaconazole is a topical antifungal, so it has relatively low systemic accumulation. The plasma half-life after 10 days of administration is 29.9 h. It has high plasma protein-binding affinity from 95.8 to 96.5%; primarily to albumin, a1-acid glycoprotein and γ-globulin. Efinaconazole is metabolized extensively through oxidative and reductive processes resulting in a sole H3 metabolite. It may also undergo glucuronidation. Efinaconazole does not have significant interactions with CYP450 enzymes in the liver. CYP2C8, CYP2C9, CYP2C19 and CYP3A4 are inhibited by efinaconazole at concentrations higher than the systemic concentrations achieved clinically.
| ALogP | 2 |
|---|
| Sonrisas canónicas | CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3 |
|---|---|
| IUPAC Name | (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol |
| InChIKey | NFEZZTICAUWDHU-RDTXWAMCSA-N |
| INCHI | 1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1 |
| Isómeros SMILES | C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3 |
| Peso molecular | 348.39 |
| Reaxy-Rn | 13491930 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13491930&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Amphetamines and derivatives |
| Alternative Parents | Phenylpropanes Fluorobenzenes Aralkylamines Piperidines Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Amphetamine or derivatives - Phenylpropane - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Tertiary alcohol - 1,2,4-triazole - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Aromatic alcohol - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. |
| External Descriptors | piperidines - organofluorine compound - tertiary alcohol - tertiary amino compound - triazole antifungal drug - conazole antifungal drug - olefinic compound |
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| Rotación específica [α] | [α]/D -85 to -95°, c = 1 in chloroform |
|---|---|
| Peso molecular | 348.400 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 348.176 Da |
| Monoisotopic Mass | 348.176 Da |
| Topological Polar Surface Area | 54.200 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 470.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |