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Home Other Building Blocks N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide

N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide

CAS No.:
1428327-31-4
Catalog Number:
AG01C15W
Molecular Formula:
C28H32N4O2S
Molecular Weight:
488.6443
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$179
- +
10mg
≥98%
1 week
United States
$283
- +
25mg
≥98%
1 week
United States
$535
- +
Product Description
Catalog Number:
AG01C15W
Chemical Name:
N-((4-(4-Phenylpiperazin-1-yl)tetrahydro-2h-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide
CAS Number:
1428327-31-4
Molecular Formula:
C28H32N4O2S
Molecular Weight:
488.6443
MDL Number:
MFCD28334214
IUPAC Name:
N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
InChI:
InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)
InChI Key:
XREFXUCWSYMIOG-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1
Properties
Complexity:
653  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.225g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
488.65g/mol
Monoisotopic Mass:
488.225g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567. British journal of pharmacology 20131001
The inflammasome: pathways linking psychological stress, depression, and systemic illnesses. Brain, behavior, and immunity 20130701
P2X receptors as drug targets. Molecular pharmacology 20130401
The role of the innate immune system in psychiatric disorders. Molecular and cellular neurosciences 20130301
Neuromodulation by extracellular ATP and P2X receptors in the CNS. Neuron 20121004
In vivo P2X7 inhibition reduces amyloid plaques in Alzheimer's disease through GSK3β and secretases. Neurobiology of aging 20120801
Inflammation in neurological and psychiatric diseases. Inflammopharmacology 20120601
Seizure suppression and neuroprotection by targeting the purinergic P2X7 receptor during status epilepticus in mice. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20120401
P2x7 deficiency suppresses development of experimental autoimmune encephalomyelitis. Journal of neuroinflammation 20080101
Disruption of the P2X7 purinoceptor gene abolishes chronic inflammatory and neuropathic pain. Pain 20050401
Properties