SBI-553 , CAS No.1849603-72-0

CAS: 1849603-72-0 Cat. No.: S412823 Peso molecular: 450.5 PubChem CID: 118610427
Disponible para pedir
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25mg
S412823-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
414,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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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.

Descripción general

Information

SBI-553 SBI-553 is a potent, brain-penetrant and allosteric modulator of NTR1 with EC50 of 0.34 μM.

Specifications

Mecanismos bioquímicos y fisiológicos
SBI-553 is a potent, brain-penetrant and allosteric modulator of NTR1 with EC50 of 0.34 μM.
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.
Nombres e identificadores
Sonrisas canónicasCN(CCO)C1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)C4=CC=CC=C4OC)C5(CC5)F
IUPAC Name2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
InChIKeyBLWXTJQMEBQCIZ-UHFFFAOYSA-N
INCHI1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3
Isómeros SMILES CN(CCO)C1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)C4=CC=CC=C4OC)C5(CC5)F
PubChem CID 118610427
Peso molecular 450.5

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 Quinazolinamines  Phenoxy compounds  Methoxybenzenes  Dialkylarylamines  Anisoles  Aminopyrimidines and derivatives  Alkyl aryl ethers  Imidolactams  Heteroaromatic compounds  1,2-aminoalcohols  Azacyclic compounds  Primary alcohols  Organopnictogen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpiperidine - Quinazolinamine - Diazanaphthalene - Quinazoline - Phenoxy compound - Methoxybenzene - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Anisole - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - 1,2-aminoalcohol - Azacycle - Ether - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - 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)
NTSR1 Tchem Neurotensin receptor type 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NTSR2 Tchem Neurotensin receptor 2 (296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPR55 Tclin G-protein coupled receptor 55 (1594 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Ntsr1 Neurotensin receptor 1 (48 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 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
SolubilidadSolubility (25°C) In vitro Ethanol: mg/mL    
Peso molecular450.500 g/mol
XLogP34.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass450.243 Da
Monoisotopic Mass450.243 Da
Topological Polar Surface Area61.700 Ų
Heavy Atom Count33
Formal Charge0
Complexity642.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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