Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H21F3N2O3S |
| Molecular Weight | 402.431 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCNCCC1=CC=C(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C=C1
InChI
InChIKey=JGGQWSXZZQPZTR-UHFFFAOYSA-N
InChI=1S/C18H21F3N2O3S/c1-2-12-22-13-11-14-3-5-15(6-4-14)23-27(24,25)17-9-7-16(8-10-17)26-18(19,20)21/h3-10,22-23H,2,11-13H2,1H3
| Molecular Formula | C18H21F3N2O3S |
| Molecular Weight | 402.431 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
PNU-177864 is a selective antagonist of D3 receptor. Compound was considered as a drug candidate for the chronic treatment of schizophrenia, but severe myopathy was found in skeletal muscles of rats during the initial safety evaluation of PNU-177864. Myopathy was associated with phospholipidosis in numerous tissues.
Originator
Approval Year
Sample Use Guides
In preclinical toxicology studies phospholipidosis was observed when PNU-177864 was administered to rats orally at doses >= 80 mg/kg/day or to dogs at doses >= 32 mg/kg/day.
Route of Administration:
Oral
Binding assay was performed using over-expressing human D3 CHO cell lines. [3H]-7-OH-DPAT (Kd for D3 1.4 nM) was used a radioligand. Membrane radioligand levels were determined by liquid scintillation counting. Non-specific binding was determined by radioligand binding in the presence of a saturating concentration of haloperidol. PNU-177864 binds to D3 receptors with Ki of 38.2 nM.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 06:59:48 GMT 2023
by
admin
on
Sat Dec 16 06:59:48 GMT 2023
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| Record UNII |
L7LNB96B89
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| Record Status |
Validated (UNII)
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| Record Version |
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L7LNB96B89
Created by
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250266-51-4
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9887351
Created by
admin on Sat Dec 16 06:59:48 GMT 2023 , Edited by admin on Sat Dec 16 06:59:48 GMT 2023
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
