KT182 - Moligand™, ≥99% , CAS No.1402612-62-7

CAS: 1402612-62-7 Cat. No.: K649966 Summenformel: C₂₇H₂₆N₄O₂ Molekulargewicht: 438.52 EG-Nummer: 808-589-3 PubChem CID: 53364491

GRADE & PURITY Moligand™, ≥99%

Synonyms

HY-120177 | KT182, >=98% (HPLC) | SCHEMBL13192356 | BDBM50010335 | (4-(3'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenylpiperidin-1-yl)methanone | MLS004256823 | CGC61262 | AKOS027263749 | SMR003081898 | [4-[4-[3-(hydroxymethyl)phen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

HY-120177 | KT182, >=98% (HPLC) | SCHEMBL13192356 | BDBM50010335 | (4-(3'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenylpiperidin-1-yl)methanone | MLS004256823 | CGC61262 | AKOS027263749 | SMR003081898 | [4-[4-[3-(hydroxymethyl)phen

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

KT182 is a potent and selective inhibitor of α/β-hydrolase domain containing 6 (ABHD6), with an IC50 of 0.24 nM in Neuro2A cells.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C1CCN(C(C1)C2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC(=C5)CO
• IUPAC Name: [4-[4-[3-(hydroxymethyl)phenyl]phenyl]triazol-1-yl]-(2-phenylpiperidin-1-yl)methanone
• InChIKey: GICNKPZHUCVFNM-UHFFFAOYSA-N
• INCHI: 1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
• Isomere SMILES: C1CCN(C(C1)C2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC(=C5)CO
• PubChem CID: 53364491
• Molekulargewicht: 438.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Biphenyls and derivatives Phenyl-1,2,3-triazoles Piperidinecarboxamides Benzyl alcohols Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenylpiperidine - Phenyl-1,2,3-triazole - Phenyltriazole - 1-piperidinecarboxamide - Piperidinecarboxamide - Benzyl alcohol - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azacycle - Aromatic alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

Zugehörige Ziele (menschlich)

ACHE Tclin Acetylcholinesterase (18204 Activities)

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

PRCP Tchem Lysosomal Pro-X carboxypeptidase (567 Activities)

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

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

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

FASN Tchem Fatty acid synthase (3390 Activities)

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

NCEH1 Tchem Neutral cholesterol ester hydrolase 1 (158 Activities)

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

ABHD12 Tchem Monoacylglycerol lipase ABHD12 (195 Activities)

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

DAGLB Tchem Sn1-specific diacylglycerol lipase beta (17 Activities)

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

CTSA Tchem Lysosomal protective protein (919 Activities)

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

RBBP9 Tchem Putative hydrolase RBBP9 (66 Activities)

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

PPME1 Tchem Protein phosphatase methylesterase 1 (52 Activities)

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

LYPLA1 Tchem Acyl-protein thioesterase 1 (16 Activities)

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

APEH Tchem Acylamino-acid-releasing enzyme (14 Activities)

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

LYPLA2 Tchem Acyl-protein thioesterase 2 (25 Activities)

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

PNPLA8 Tbio Calcium-independent phospholipase A2-gamma (1 Activities)

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

PNPLA6 Tbio Neuropathy target esterase (1 Activities)

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

ESD Tchem S-formylglutathione hydrolase (14 Activities)

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

SCPEP1 Tbio Retinoid-inducible serine carboxypeptidase (1 Activities)

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

LYPLAL1 Tbio Lysophospholipase-like protein 1 (1 Activities)

Discover Target: LYPLAL1

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

ACOT2 Tbio Acyl-coenzyme A thioesterase 2, mitochondrial (1 Activities)

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

ACOT1 Tbio Acyl-coenzyme A thioesterase 1 (1 Activities)

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

PPT2 Tbio Lysosomal thioesterase PPT2 (1 Activities)

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

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PREP Prolyl endopeptidase (14 Activities)

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

Faah Anandamide amidohydrolase (3907 Activities)

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

Mus musculus (284745 Activities)

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

Tpp2 Tripeptidyl-peptidase 2 (4 Activities)

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

Abhd16a Protein BAT5 (9 Activities)

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

Lipe Hormone-sensitive lipase (209 Activities)

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

Abhd6 Monoacylglycerol lipase ABHD6 (221 Activities)

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

Abhd11 Abhydrolase domain-containing protein 11 (10 Activities)

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

Pafah2 Platelet-activating factor acetylhydrolase 2, cytoplasmic (7 Activities)

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

Abhd10 Mycophenolic acid acyl-glucuronide esterase, mitochondrial (11 Activities)

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

Pafah1b2 Platelet-activating factor acetylhydrolase IB subunit beta (3 Activities)

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

Pafah1b3 Platelet-activating factor acetylhydrolase IB subunit gamma (3 Activities)

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

Dpp9 Dipeptidyl peptidase 9 (3 Activities)

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

Mzb1 Marginal zone B- and B1-cell-specific protein (3 Activities)

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

Lonp1 Lon protease homolog, mitochondrial (3 Activities)

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

Abhd13 Alpha/beta hydrolase domain-containing protein 13 (3 Activities)

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

Qrsl1 Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial (3 Activities)

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

Ddhd2 Phospholipase DDHD2 (10 Activities)

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

Pla2g15 Group XV phospholipase A2 (3 Activities)

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

Lactb Serine beta-lactamase-like protein LACTB, mitochondrial (3 Activities)

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

Pnpla7 Patatin-like phospholipase domain-containing protein 7 (3 Activities)

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

Serhl Serine hydrolase-like protein (3 Activities)

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

Dpp7 Dipeptidyl peptidase 2 (3 Activities)

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

Parl Presenilins-associated rhomboid-like protein, mitochondrial (3 Activities)

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

Pla2g6 85/88 kDa calcium-independent phospholipase A2 (3 Activities)

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

Ddhd1 Phospholipase DDHD1 (3 Activities)

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

Pgap1 GPI inositol-deacylase (3 Activities)

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

Htra2 Serine protease HTRA2, mitochondrial (3 Activities)

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

Abhd5 1-acylglycerol-3-phosphate O-acyltransferase ABHD5 (6 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (228.04 mM; Need ultrasonic) Ethanol : 11 mg/mL (25.08 mM; Need ultrasonic and warming)
• Molekulargewicht: 438.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 438.206 Da
• Monoisotopic Mass: 438.206 Da
• Topological Polar Surface Area: 71.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 632.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1