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

CAS: 1402612-62-7 Cat. No.: K649966 Peso molecular: 438.52 Número EC: 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

Sinónimos

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

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 438.52

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

PRCP Tchem Lysosomal Pro-X carboxypeptidase (567 Activities)

Discover Target: PRCP

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

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

Discover Target: PLAT

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

FASN Tchem Fatty acid synthase (3390 Activities)

Discover Target: FASN

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

NCEH1 Tchem Neutral cholesterol ester hydrolase 1 (158 Activities)

Discover Target: NCEH1

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

ABHD12 Tchem Monoacylglycerol lipase ABHD12 (195 Activities)

Discover Target: ABHD12

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

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

Discover Target: DAGLB

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

CTSA Tchem Lysosomal protective protein (919 Activities)

Discover Target: CTSA

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

RBBP9 Tchem Putative hydrolase RBBP9 (66 Activities)

Discover Target: RBBP9

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

PPME1 Tchem Protein phosphatase methylesterase 1 (52 Activities)

Discover Target: PPME1

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

LYPLA1 Tchem Acyl-protein thioesterase 1 (16 Activities)

Discover Target: LYPLA1

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

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

Discover Target: APEH

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

LYPLA2 Tchem Acyl-protein thioesterase 2 (25 Activities)

Discover Target: LYPLA2

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

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

Discover Target: PNPLA8

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

PNPLA6 Tbio Neuropathy target esterase (1 Activities)

Discover Target: PNPLA6

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

ESD Tchem S-formylglutathione hydrolase (14 Activities)

Discover Target: ESD

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

SCPEP1 Tbio Retinoid-inducible serine carboxypeptidase (1 Activities)

Discover Target: SCPEP1

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)

Discover Target: ACOT2

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

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

Discover Target: ACOT1

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

PPT2 Tbio Lysosomal thioesterase PPT2 (1 Activities)

Discover Target: PPT2

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

Objetivos asociados (no humanos)

PREP Prolyl endopeptidase (14 Activities)

Discover Target: PREP

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

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Mus musculus (284745 Activities)

Explore this target

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

Tpp2 Tripeptidyl-peptidase 2 (4 Activities)

Discover Target: Tpp2

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

Abhd16a Protein BAT5 (9 Activities)

Discover Target: Abhd16a

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

Lipe Hormone-sensitive lipase (209 Activities)

Discover Target: Lipe

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

Abhd6 Monoacylglycerol lipase ABHD6 (221 Activities)

Discover Target: Abhd6

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

Abhd11 Abhydrolase domain-containing protein 11 (10 Activities)

Discover Target: Abhd11

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

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

Discover Target: Pafah2

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

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

Discover Target: Abhd10

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)

Discover Target: Pafah1b2

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)

Discover Target: Pafah1b3

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

Dpp9 Dipeptidyl peptidase 9 (3 Activities)

Discover Target: Dpp9

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)

Discover Target: Mzb1

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

Lonp1 Lon protease homolog, mitochondrial (3 Activities)

Discover Target: Lonp1

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)

Discover Target: Abhd13

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)

Discover Target: Qrsl1

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

Ddhd2 Phospholipase DDHD2 (10 Activities)

Discover Target: Ddhd2

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

Pla2g15 Group XV phospholipase A2 (3 Activities)

Discover Target: Pla2g15

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)

Discover Target: Lactb

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)

Discover Target: Pnpla7

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

Serhl Serine hydrolase-like protein (3 Activities)

Discover Target: Serhl

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

Dpp7 Dipeptidyl peptidase 2 (3 Activities)

Discover Target: Dpp7

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

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

Discover Target: Parl

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)

Discover Target: Pla2g6

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

Ddhd1 Phospholipase DDHD1 (3 Activities)

Discover Target: Ddhd1

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

Pgap1 GPI inositol-deacylase (3 Activities)

Discover Target: Pgap1

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

Htra2 Serine protease HTRA2, mitochondrial (3 Activities)

Discover Target: Htra2

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)

Discover Target: Abhd5

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (228.04 mM; Need ultrasonic) Ethanol : 11 mg/mL (25.08 mM; Need ultrasonic and warming)
• Peso molecular: 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