CAS 634616-95-8 Tbpb (HCID 10092649)

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Grundinformationen

CAS: 634616-95-8
Standard-SMILES: Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIKey: CWPKTBMRVATCBL-UHFFFAOYSA-N
Summenformel: C25H32N4O
Durchschnittliche Molmasse: 404,5 g/mol
Monoisotopische Masse: 404,25761166

Namen und Bezeichner

Bevorzugter Name: Tbpb
IUPAC: 3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
Englischer Name: TBPB
Summenformel: C25H32N4O
Molmasse: 404.55

Namen und Synonyme

TBPB3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one3-(1-(1-((2-methylphenyl)methyl)piperidin-4-yl)piperidin-4-yl)-1H-benzimidazol-2-oneRefChem:1099408634616-95-81-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-oneCHEMBL5224601-(1'-(2-Methylbenzyl)-[1,4'-bipiperidin]-4-yl)-1H-benzo[d]imidazol-2(3H)-oneTBPB?GTPL3258orb1224401orb1307513

Weitere Namen anzeigen

TBPB(1%EA)TBPB, 10 mM in DMSO1-(1′-(2-Methylbenzyl)-1,4′-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one1,3-Dihydro-1-[1'-[(2-methylphenyl)methyl][1,4'-bipiperidin]-4-yl]-2H-benzimidazol-2-one2H-BenziMidazol-2-one, 1,3-dihydro-1-[1'-[(2-Methylphenyl)Methyl][1,4'-bipiperidin]-4-yl]-1-{1'-[(2-methylphenyl)methyl]-[1,4'-bipiperidin]-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

SCHEMBL5473311SCHEMBL30558524CWPKTBMRVATCBL-UHFFFAOYSA-NDTXSID101352360GLXC-02790TBPB, >=98% (HPLC)BDBM50263887AKOS026750197

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 38,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 30
Formalladung: 0
Komplexität: 582

Physikochemische Eigenschaften

Dichte: 1.193 · 1.193±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: 5 mg/mL · DMSO: soluble5mg/mL (clear solution; warmed)
Aggregatzustand: powder
pka: 12.04 · 12.04±0.30(Predicted)
Farbe: white to beige
InChI: 1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
InChIKey: CWPKTBMRVATCBL-UHFFFAOYSA-N
SMILES: Cc1ccccc1CN2CCC(CC2)N3CCC(CC3)N4C(=O)Nc5ccccc45

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 38 reports by companies.；There are 0 notifications provided by 0 of 38 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 3
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenTBPB is an allosteric M1 muscarinic acetylcholine receptor activator that regulates amyloid processing and produces antipsychotic-like activity in rats.