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    PF-00446687
    PF-00446687

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    This product is for research use only, not for human use. We do not sell to patients.
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    InvivoChem Cat #: V4458
    CAS #: 862282-10-8 (HCl salt)Purity ≥98%

    Description: PF-00446687 is a novel, potent, highly selective, brain penetrant small-molecule MC4R (melanocortin-4 receptor) agonist with EC50 of 12 ± 1 nM. The role of the MC4 receptor subtype has received particular scrutiny, but the sufficiency of its selective activation in potentiating sexual response has remained uncertain owing to conflicting data from studies in preclinical species. We describe here the discovery of a novel series of small-molecule MC4 receptor agonists derived from library hit 2. The addition of methyl substituents at C3 and C5 of the 4-phenylpiperidin-4-ol ring was found to be markedly potency-enhancing, enabling the combination of low nanomolar potencies with full rule-of-five compliance. In general, the series shows only micromolar activity at other melanocortin receptors. 

    References:  2010 Apr 22;53(8):3183-97. 

    Related CAS: 862281-92-3 (free base)

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    PF-00446687

    Name: PF-446687 HCl
    CAS#: 862282-10-8
    Chemical Formula: C28H37ClF2N2O2
    Exact Mass: 506.2512
    Molecular Weight: 507.06
    Elemental Analysis: C, 66.32; H, 7.36; Cl, 6.99; F, 7.49; N, 5.52; O, 6.31
    Storage-20℃ for 3 years in powder form
    -80℃ for 2 years in solvent
    Technical InformationSynonym: PF-00446687 HCl; PF 446687 hydrochloride; PF446687; PF-446687
    IUPAC/Chemical Name: ((3S,4R)-1-(tert-Butyl)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3R,4R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone Hydrochloride
    InChi Key: WWCBDWDDPAPGHX-UZEFPFOTSA-N
    InChi Code: InChI=1S/C28H36F2N2O2.ClH/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;1H/t18-,19+,23-,24+,28-;/m0./s1
    SMILES Code: O=C([[email protected]@H]1CN(C(C)(C)C)C[[email protected]]1C2=CC=C(F)C=C2F)N3C[[email protected]@H](C)[[email protected]@](C4=CC=CC=C4)(O)[[email protected]@H](C)C3.[H]Cl


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