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TBPB

CAS No.:
634616-95-8
Catalog Number:
AG00ECFQ
Molecular Formula:
C25H32N4O
Molecular Weight:
404.5478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
10mg
99%
1 week
United States
$168
- +
50mg
99%
1 week
United States
$404
- +
100mg
99%
1 week
United States
$682
- +
200mg
99%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG00ECFQ
Chemical Name:
TBPB
CAS Number:
634616-95-8
Molecular Formula:
C25H32N4O
Molecular Weight:
404.5478
MDL Number:
MFCD22666590
IUPAC Name:
3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
InChI:
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)
InChI Key:
CWPKTBMRVATCBL-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Properties
Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.258g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
404.558g/mol
Monoisotopic Mass:
404.258g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
The M1 muscarinic receptor allosteric agonists AC-42 and 1-[1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one bind to a unique site distinct from the acetylcholine orthosteric site. Molecular pharmacology 20101001
Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 receptor agonist with unprecedented selectivity and procognitive potential. Journal of medicinal chemistry 20100909
Synthesis and SAR of analogues of the M1 allosteric agonist TBPB. Part I: Exploration of alternative benzyl and privileged structure moieties. Bioorganic & medicinal chemistry letters 20081015
Synthesis and SAR of analogs of the M1 allosteric agonist TBPB. Part II: Amides, sulfonamides and ureas--the effect of capping the distal basic piperidine nitrogen. Bioorganic & medicinal chemistry letters 20081015
Novel selective allosteric activator of the M1 muscarinic acetylcholine receptor regulates amyloid processing and produces antipsychotic-like activity in rats. The Journal of neuroscience : the official journal of the Society for Neuroscience 20081008
Properties