SR 140333 - ≥97%(HPLC) , CAS No.153050-21-6

CAS: 153050-21-6 Cat. No.: S287620 Peso molecular: 656.12 PubChem CID: 108166
Disponible para pedir
GRADE & PURITY ≥97%(HPLC)
Synonyms
SR 140333 | 1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;chloride | SR-140333A | 1-(2-(3-(3,4-Dichlorophenyl)-1-(3-isopropoxyphenylacetyl)piperidin-3-yl)ethyl)-4-ph
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
10mg
S287620-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
609,90US$
50mg
S287620-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
2.484,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
SR 140333 | 1-[(3S)-3-(3, 4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;chloride | SR-140333A | 1-(2-(3-(3, 4-Dichlorophenyl)-1-(3-isopropoxyphenylacetyl)piperidin-3-yl)ethyl)-4-ph
Especificaciones y pureza
≥97%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent NK1receptor antagonist (Ki= 0.74 nM. IC50= 1.6 nM). Inhibitssubstance P-invoked calcium mobilization and outward current (IC50= 1.3 nM); blocks NK1-mediated nitric oxide-dependent vasodilationin vivo.
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.
Pureza
≥97%(HPLC)
Nombres e identificadores
Sonrisas canónicasCC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-]
IUPAC Name1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;chloride
InChIKeyNQHFSECYQAQZBN-LSYPWIJNSA-M
INCHI1S/C37H45Cl2N2O2.ClH/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3;1H/q+1;/p-1/t36?,37-,41?;/m1./s1
Isómeros SMILES CC(C)OC1=CC=CC(=C1)CC(=O)N2CCC[C@](C2)(CC[N+]34CCC(CC3)(CC4)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl.[Cl-]
PubChem CID 108166
Peso molecular 656.12

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasePiperidines
SubclassPhenylpiperidines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperidines
Alternative Parents Phenylacetamides  N-acylpiperidines  Quinuclidines  Phenoxy compounds  Phenol ethers  Dichlorobenzenes  Alkyl aryl ethers  Aralkylamines  Aryl chlorides  Tetraalkylammonium salts  Tertiary carboxylic acid amides  Azacyclic compounds  Hydrocarbon derivatives  Carbonyl compounds  Organic chloride salts  Organic oxides  Organochlorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpiperidine - Phenylacetamide - N-acyl-piperidine - 1,2-dichlorobenzene - Phenoxy compound - Phenol ether - Quinuclidine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Organic salt - Organic oxide - Organic chloride salt - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TACR1 Tclin Neurokinin 1 receptor (6273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 65.61, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 65.61, Max Conc. mM: 100
Peso molecular656.100 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass654.255 Da
Monoisotopic Mass654.255 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count44
Formal Charge0
Complexity913.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluciones
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