Liranaftate - ≥99% , Squalene monooxygenase inhibitor, CAS No.88678-31-3, Squalene monooxygenase inhibitor

CAS: 88678-31-3 Cat. No.: L129305 Summenformel: C₁₈H₂₀N₂O₂S Molekulargewicht: 328.43 EG-Nummer: 834-254-6

QUALITÄT & REINHEIT ≥99%

Synonyms

Liranaftato|Liranaftate [INN]|Piritetate|M-732; Piritetrate|Liranaftato [INN-Spanish]|Liranaftatum|Liranaftate (JAN/INN)|(6-METHOXY-2-PYRIDINYL)-METHYLCARBAMOTHIOIC ACID|O-(5,6,7,8,-Tetrahydro-2-naphthyl) 6-methoxy-N-methylthio-2-pyridinecarbamate|O-5,6,7,8-tetrahydronaphthalen-2-yl 6-methoxypyridin-2-yl(methyl)carbamothioate|Piritetrate;M-732|LIRANAFTATE [MART.]|LIRANAFTATE [JAN]|O-(5,6,7,8-TETRAHYDRO-2-NAPHTHYL) N-(6-METHOXY-2-PYRIDYL)-N-METHYLTHIOCARBAMATE|O-tetralin-6-yl N-(6-methoxy-2-pyridyl)-N-methyl-carbamothioate|(6-Methoxypyridin-2-yl)(methyl)carbamothioic Acid O-(5,6,7,8-Tetrahydronaphthalen-2-yl) Ester|LIRANAFTATE [MI]|Carbamothioic acid, (6-methoxy-2-pyridinyl)methyl-, O-(5,6,7,8-tetrahydro-2-naphthalenyl) ester|O-(5,6,7,8-Tetrahydronaphthalen-2-yl) (6-methoxypyridin-2-yl)methylthiocarbamate|Piritetrate|Liranaftate|O-(5,6,7,8-tetrahydronaphthalen-2-yl) (6-methoxypyridin-2-yl)(methyl)carbamothioate|LIRANAFTATE [WHO-DD]|Liranaftatum [INN-Latin]|Zefnart

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Liranaftate is a squalene epoxidase inhibitor with anti-fungicidal activities.
A squalene epoxidase inhibitor.

Spezifikationen

Synonyme

Liranaftato | Liranaftate [INN] | Piritetate | M-732; Piritetrate | Liranaftato [INN-Spanish] | Liranaftatum | Liranaftate (JAN/INN) | (6-METHOXY-2-PYRIDINYL)-METHYLCARBAMOTHIOIC ACID | O-(5,6,7,8,-Tetrahydro-2-naphthyl) 6-methoxy-N-methylthio-2-pyridinecarbamate | O-5,6,7,8-tetrahydronaphthalen-2-yl 6-methoxypyridin-2-yl(methyl)carbamoth Show more

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Liranaftate ia squalene epoxidase inhibitor.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Squalene monooxygenase inhibitor

Reinheit

≥99%

Produkteigenschaften

ALogP

4.9

Namen und Kennungen

Pubchem Sid

488179808

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179808

Kanonisches Lächeln

CN(C1=NC(=CC=C1)OC)C(=S)OC2=CC3=C(CCCC3)C=C2

IUPAC Name

O-(5,6,7,8-tetrahydronaphthalen-2-yl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate

InChIKey

VPHPQNGOVQYUMG-UHFFFAOYSA-N

INCHI

1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3

Isomere SMILES

CN(C1=NC(=CC=C1)OC)C(=S)OC2=CC3=C(CCCC3)C=C2

Molekulargewicht

328.43

Reaxy-Rn

12615149

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12615149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Imidolactams Thiocarbamic acid esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetralin - Alkyl aryl ether - Pyridine - Imidolactam - Thiocarbamic acid ester - Heteroaromatic compound - Thiocarbamic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• External Descriptors: Not available

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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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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EDNRA Tclin Endothelin receptor ET-A (5008 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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CHRNA4 Tclin Neuronal acetylcholine receptor protein alpha-4 subunit (1265 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Pde4d Phosphodiesterase 4D (4 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Acetone, Chloroform, Dichloromethane, DMF, DMSO, Ether, and Hexane Methanol
• Schmelzpunkt (°C): 98.5-99.5°C
• Molekulargewicht: 328.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 328.125 Da
• Monoisotopic Mass: 328.125 Da
• Topological Polar Surface Area: 66.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 406.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 88678-31-3, the molecular formula is C18H20N2O2S, and the molecular weight is 328.43 g/mol. InChIKey VPHPQNGOVQYUMG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.