U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36F2N2O2
Molecular Weight 470.5944
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-00446687

SMILES

C[C@H]1CN(C[C@@H](C)[C@]1(O)C2=CC=CC=C2)C(=O)[C@@H]3CN(C[C@H]3C4=CC=C(F)C=C4F)C(C)(C)C

InChI

InChIKey=WHPJOAUPIZDJNX-AGGGUQDCSA-N
InChI=1S/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36F2N2O2
Molecular Weight 470.5944
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

PF-00446687 is the highly selective, brain-penetrant, melanocortin 4 receptor (MC4R) agonist. PF-00446687 induced partner preferences formation in females prairie voles after a 6-h cohabitation without mating. PF-00446687 had been in phase I clinical trial for the treatment of sexual function disorders.

Approval Year

PubMed

PubMed

TitleDatePubMed
Evaluation of the clearance of a sublingual buprenorphine spray in the beagle dog using gamma scintigraphy.
2008 Apr
Neonatal melanocortin receptor agonist treatment reduces play fighting and promotes adult attachment in prairie voles in a sex-dependent manner.
2014 Oct
Melanocortin Receptor Agonists Facilitate Oxytocin-Dependent Partner Preference Formation in the Prairie Vole.
2015 Jul
Patents

Patents

Sample Use Guides

1 or 10 mg/kg
Route of Administration: Intraperitoneal
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:31:21 GMT 2023
Edited
by admin
on Sat Dec 16 10:31:21 GMT 2023
Record UNII
63P236Z73I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-00446687
Common Name English
(-)-PF-00446687
Code English
METHANONE, ((3S,4R)-4-(2,4-DIFLUOROPHENYL)-1-(1,1-DIMETHYLETHYL)-3-PYRROLIDINYL)((3R,5S)-4-HYDROXY-3,5-DIMETHYL-4-PHENYL-1-PIPERIDINYL)-
Systematic Name English
4-PIPERIDINOL, 1-(((3S,4R)-4-(2,4-DIFLUOROPHENYL)-1-(1,1-DIMETHYLETHYL)-3-PYRROLIDINYL)CARBONYL)-3,5-DIMETHYL-4-PHENYL-, (3.ALPHA.,4.ALPHA.,5.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
63P236Z73I
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
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SMS_ID
300000041535
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
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ChEMBL
CHEMBL1090488
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
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CAS
862281-92-3
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
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WIKIPEDIA
PF-00446687
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
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DRUG BANK
DB12517
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
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EPA CompTox
DTXSID701030106
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
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