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About This Item
Empirical Formula (Hill Notation):
C18H23N3O3
CAS Number:
Molecular Weight:
329.39
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
51111800
MDL number:
InChI
1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
SMILES string
O=C1C=C(OCC2=NC=CC=C2)N=C3COC[C@@H](CC(C)(C)C)N31
InChI key
QDIYOEYPJWXMRN-CQSZACIVSA-N
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 5 mg/mL, clear (warmed)
storage temp.
room temp
Quality Level
Biochem/physiol Actions
Muscarinic metabotropic receptor mGluR5 ligand.
PF-06462894 is a muscarinic metabotropic receptor mGluR5 ligand.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Gopinath S Palanisamy et al.
Toxicologic pathology, 43(7), 995-1003 (2015-06-11)
Three orally administered metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulators caused skin lesions consistent with delayed type-IV hypersensitivity in cynomolgus macaques in 2- and 12-week toxicity studies. Several monkeys developed macroscopic skin lesions in multiple locations after 8 to
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