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PF-00446687 (free base)

CAT: 0804-HY-10622-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10622-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-00446687 is a potent, selective melanocortin-4 receptor (MC4R) agonist with EC50 of 12 ± 1 nM[1]. Pf-446687 is brain penetrant[2].
CAS Number
862281-92-3
UNSPSC
12352005
Target
Melanocortin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/PF-00446687.html
Purity
99.78
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
O=C(N(C[C@@H]1C)C[C@H]([C@@]1(O)C2=CC=CC=C2)C)[C@H](C3)[C@H](C(C=CC(F)=C4)=C4F)CN3C(C)(C)C
Molecular Formula
C28H36F2N2O2
Molecular Weight
470.59
References & Citations
[1]Lansdell MI, et al. Discovery of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humans. J Med Chem. 2010 Apr 22;53 (8) :3183-97.|[2]Modi ME, et al. Melanocortin Receptor Agonists Facilitate Oxytocin-Dependent Partner Preference Formation in the Prairie Vole. Neuropsychopharmacology. 2015 Jul;40 (8) :1856-65.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
MC4R

Chemical Information

Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-

PF-00446687 has been investigated for the treatment of Erectile Dysfunction.

CAS Number862281-92-3
PubChem CID11328898
IUPAC Name[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone
Molecular FormulaC28H36F2N2O2
Molecular Weight470.6
XLogP4.5
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity708
SMILES
C[C@@H]1CN(C[C@@H](C1(C2=CC=CC=C2)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C
InChI
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
InChIKey
WHPJOAUPIZDJNX-YTEQHECZSA-N
Chemical Structure
2D Structure
2D structure of Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-
CAS: 862281-92-3
CID: 11328898
Formula: C28H36F2N2O2
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass470.27448472
Monoisotopic Mass470.27448472
Topological Polar Surface Area43.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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