L-733,060 hydrochloride - ≥99%(HPLC) , CAS No.148687-76-7

CAS: 148687-76-7 Cat. No.: L288224 Molecular Weight: 439.8 PubChem CID: 11568371

GRADE & PURITY ≥99%(HPLC)

Synonyms

DTXSID70468719 | (2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride | SCHEMBL8537737 | 3-([3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHOXY)-2-PHENYL-PIPERIDINE HYDROCHLORIDE | L-733060 hydrochloride | SMR001230778 | DYEUTIUITGHIEO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DTXSID70468719 | (2R, 3R)-3-[[3, 5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride | SCHEMBL8537737 | 3-([3, 5-BIS(TRIFLUOROMETHYL)PHENYL]METHOXY)-2-PHENYL-PIPERIDINE HYDROCHLORIDE | L-733060 hydrochloride | SMR001230778 | DYEUTIUITGHIEO

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Potent NK1antagonist (Kivalues are 0.08, 0.2 and 93.13 nM for gerbil, human and rat receptors, respectively). Produces anxiolytic-like effects in the gerbil elevated plus-maze. Exhibits antitumor activityin vitro. Also decreases HER2 activity and tumor gr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC(C(NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl
• IUPAC Name: (2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
• InChIKey: DYEUTIUITGHIEO-JAXOOIEVSA-N
• INCHI: 1S/C20H19F6NO.ClH/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14;/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2;1H/t17-,18-;/m1./s1
• Isomeric SMILES: C1C[C@H]([C@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl
• PubChem CID: 11568371
• Molecular Weight: 439.8

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Trifluoromethylbenzenes Benzylethers Aralkylamines Dialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Trifluoromethylbenzene - Benzylether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azacycle - Dialkyl ether - Secondary amine - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Hydrochloride - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Description: 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

Associated Targets(Human)

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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HepG2 (196354 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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UBE2N Tchem Ubiquitin-conjugating enzyme E2 N (1570 Activities)

Discover Target: UBE2N

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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ATXN2 Tbio Ataxin-2 (54410 Activities)

Discover Target: ATXN2

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 21.99, Max Conc. mM: 50 with gentle warming
• Sensitivity: Moisture sensitive