GNF-6231 - Moligand™, 10mM in DMSO , Inhibitor of porcupine O-acyltransferase, CAS No.1243245-18-2, Inhibitor of porcupine O-acyltransferase

CAS: 1243245-18-2 Cat. No.: G421042 Molecular Weight: 448.49

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

[2,​4'-​Bipyridine]​-​5-​acetamide,N-​[5-​(4-​acetyl-​1-​piperazinyl)​-​2-​pyridinyl]​-​2'-​fluoro-​3-​methyl-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

GNF-6231 GNF-6231 is a potent, orally active and selective Porcupine inhibitor with IC50 of 0.8 nM.

Targets

Porcupine (Cell-free) 0.8 nM

In vitro

GNF-6231 shows a good solubility. It has no appreciable activities, at least up to 10 μM testing concentrations, for more than 200 off-targets, which include GPCRs, kinases, proteases, transporters, ion channels, and nuclear receptors. GNF-6231 shows IC50s of greater than 10 μM on all CYP isoforms tested (2C9, 2D6, 3A4). It shows high permeability in a Caco-2 human cell permeability assay with a possible efflux.

In vivo

GNF-6231 demonstrates excellent pathway inhibition and induces robust antitumor efficacy in a mouse MMTV-WNT1 xenograft tumor model. GNF-6231 is moderately bound to mouse, rat, dog, monkey, and human plasma proteins (88.0, 83.1, 90.9, 71.2, and 95%, respectively). It shows good oral bioavailability, ranging from 72 to 96% in preclinical species (mouse, rat, and dog) when dosed in solution formulations. GNF-6231 is expected to have minimal to marginal distribution to tissues compared to total body water following intravenous administration to mouse (Vss 0.57 L/kg), rat (Vss 0.70 L/kg), and dog (Vss 0.25 L/kg).

Cell Research(from reference)

Cell lines：TM3 Wnt-Luc cells and L-cell Wnt3A cells 

Incubation Time：24 h 

Specifications

Synonyms

[2, ​4'-​Bipyridine]​-​5-​acetamide, N-​[5-​(4-​acetyl-​1-​piperazinyl)​-​2-​pyridinyl]​-​2'-​fluoro-​3-​methyl-

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

GNF-6231 is a potent, orally active and selective Porcupine inhibitor with IC50 of 0.8 nM.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of porcupine O-acyltransferase

Names and Identifiers

• Canonical Smiles: CC1=CC(=CN=C1C2=CC(=NC=C2)F)CC(=O)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)C
• IUPAC Name: N-[5-(4-acetylpiperazin-1-yl)pyridin-2-yl]-2-[6-(2-fluoropyridin-4-yl)-5-methylpyridin-3-yl]acetamide
• InChIKey: AXXNRMISICMFNS-UHFFFAOYSA-N
• INCHI: 1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)
• Isomeric SMILES: CC1=CC(=CN=C1C2=CC(=NC=C2)F)CC(=O)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)C
• Molecular Weight: 448.49
• Reaxy-Rn: 20663882
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20663882&ln=

Associated Targets(Human)

PORCN Tchem Protein-serine O-palmitoleoyltransferase porcupine (0 Activities)

Discover Target: PORCN

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 448.500 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 448.202 Da
• Monoisotopic Mass: 448.202 Da
• Topological Polar Surface Area: 91.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 673.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1