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MedKoo Cat#: 465817 | Name: PF-6870961

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PF-6870961 is a GHS-R1a ligand. PF-6870961 is the hydroxy metabolite of PF-5190457. PF-5190457 is a selective and potent ghrelin receptor inverse agonist presently undergoing clinical trials to treat alcohol use disorder (AUD). PF-6870961 had no off-target interactions and demonstrated both binding affinity and inverse agonist activity at GHSR1a. In comparison to its parent compound, PF-5190457, the metabolite PF-6870961 had lower binding affinity and potency at inhibiting GHSR1a-induced inositol phosphate accumulation. However, PF-6870961 had increased inhibitory potency at GHSR1a-induced β-arrestin recruitment relative to its parent compound. Intraperitoneal injection of PF-6870961 suppressed food intake under conditions of both food restriction and with ad libitum access to food in male and female rats, demonstrating in vivo activity.

Chemical Structure

PF-6870961
PF-6870961
CAS#2857112-06-0 (free base)

Theoretical Analysis

MedKoo Cat#: 465817

Name: PF-6870961

CAS#: 2857112-06-0 (free base)

Chemical Formula: C29H32N6O2S

Exact Mass: 528.2307

Molecular Weight: 528.68

Elemental Analysis: C, 65.89; H, 6.10; N, 15.90; O, 6.05; S, 6.06

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
2857112-06-0 (free base) 2857112-07-1 (HCl) 2857112-09-3 (fumarate)
Synonym
PF-6870961; PF6870961; PF 6870961;
IUPAC/Chemical Name
(R)-1-(2-(5-(2-hydroxy-6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl)-2-(2-methylimidazo[2,1-b]thiazol-6-yl)ethan-1-one
InChi Key
QVWZNQBFKUFFHO-RUZDIDTESA-N
InChi Code
InChI=1S/C29H32N6O2S/c1-18-11-24(32-27(37)30-18)21-3-5-23-20(12-21)4-6-25(23)35-16-29(17-35)7-9-33(10-8-29)26(36)13-22-15-34-14-19(2)38-28(34)31-22/h3,5,11-12,14-15,25H,4,6-10,13,16-17H2,1-2H3,(H,30,32,37)/t25-/m1/s1
SMILES Code
O=C(CC1=CN(C=C(C)S2)C2=N1)N3CCC4(CN([C@@H]5CCC6=C5C=CC(C7=NC(O)=NC(C)=C7)=C6)C4)CC3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 528.68 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Sulima A, Akhlaghi F, Leggio L, Rice KC. Synthesis of PF-6870961, a major hydroxy metabolite of the novel ghrelin receptor inverse agonist PF-5190457. Bioorg Med Chem. 2021 Nov 15;50:116465. doi: 10.1016/j.bmc.2021.116465. Epub 2021 Oct 12. PMID: 34662828. 2: Adusumalli S, Jamwal R, Leggio L, Akhlaghi F. Development and validation of an assay for a novel ghrelin receptor inverse agonist PF-5190457 and its major hydroxy metabolite (PF-6870961) by LC-MS/MS in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2019 Nov 1;1130-1131:121820. doi: 10.1016/j.jchromb.2019.121820. Epub 2019 Oct 8. PMID: 31670107. 3: Adusumalli S, Jamwal R, Obach RS, Ryder TF, Leggio L, Akhlaghi F. Role of Molybdenum-Containing Enzymes in the Biotransformation of the Novel Ghrelin Receptor Inverse Agonist PF-5190457: A Reverse Translational Bed-to-Bench Approach. Drug Metab Dispos. 2019 Aug;47(8):874-882. doi: 10.1124/dmd.119.087015. Epub 2019 Jun 10. PMID: 31182423; PMCID: PMC6636241. 4. Deschaine SL, Hedegaard MA, Pince CL, Farokhnia M, Moose JE, Stock IA, Adusumalli S, Akhlaghi F, Hougland JL, Sulima A, Rice KC, Koob GF, Vendruscolo L, Holst B, Leggio L. Initial pharmacological characterization of a major hydroxy metabolite of PF-5190457: inverse agonist activity of PF-6870961 at the ghrelin receptor. J Pharmacol Exp Ther. 2023 Jan 11:JPET-AR-2022-001393. doi: 10.1124/jpet.122.001393. Epub ahead of print. PMID: 36631279.