Efinaconazole - ≥99% , Lanosterol 14-alpha demethylase inhibitor, CAS No.164650-44-6, Lanosterol 14-alpha demethylase inhibitor

CAS: 164650-44-6 Cat. No.: E413214 分子式: C₁₈H₂₂F₂N₄O 分子量: 348.39 EC番号: 813-597-5

GRADE & PURITY ≥99%

Synonyms

KP103 | KP-103 | NCGC00390702-02 | HY-15660 | CCG-268012 | (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)butane-2-ol | EFINACONAZOLE | MFCD00936406 | D01AC19 | NCGC00390702-01 | Efinaconazole [USAN:INN] | EFINACON

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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.

Specifications

同義語

KP103 | KP-103 | NCGC00390702-02 | HY-15660 | CCG-268012 | (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)butane-2-ol | EFINACONAZOLE | MFCD00936406 | D01AC19 | NCGC00390702-01 | Efinaconazole [USAN:INN] | EFINACON

仕様と純度

≥99%

生化学的・生理学的メカニズム

Efinaconazole (KP-103) is an inhibitor of 14 alpha-demethylase which is involved in the biosynthesis of ergosterol, a constituent of fungal cell membranes.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

作用メカニズム

Lanosterol 14-alpha demethylase inhibitor

純度

≥99%

製品の性質

ALogP

2

名前と識別子

パブケム・シド

504758943

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504758943

カノニカル・スマイル

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

異性体SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3

分子量

348.39

Reaxy-Rn

13491930

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13491930&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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rep Replicase polyprotein 1ab (378 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 69 mg/mL (198.05 mM); Ethanol: 69 mg/mL (198.05 mM); Water: Insoluble
• 比旋光度［α］: [α]/D -85 to -95°, c = 1 in chloroform
• 分子量: 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