CP-610431 is a reversible, ATP-noncompetitive, isoenzyme-nonselective inhibitor of acetyl-CoA carboxylase (ACC). CP-610431 inhibits ACC1 and ACC2 with IC50 of approximately 50 nM. CP-610431 may be used in studies of metabolic syndrome.

Physicochemical Properties

Molecular Formula	C30H37N3O2
Molecular Weight	471.63
Exact Mass	471.288
CAS #	591778-83-5
PubChem CID	9804834
Appearance	Typically exists as solid at room temperature
LogP	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	35
Complexity	707
Defined Atom Stereocenter Count	1
SMILES	CCN(CC)C(=O)[C@@H]1CCCN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53
InChi Key	TXUIRLUAKARNPD-XMMPIXPASA-N
InChi Code	InChI=1S/C30H37N3O2/c1-3-31(4-2)29(34)24-12-9-17-33(21-24)25-15-18-32(19-16-25)30(35)28-26-13-7-5-10-22(26)20-23-11-6-8-14-27(23)28/h5-8,10-11,13-14,20,24-25H,3-4,9,12,15-19,21H2,1-2H3/t24-/m1/s1
Chemical Name	(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	The active R-enantiomer of CP-497485 is CP-610431. Rat ACC1 (IC50=35.7 nM) and ACC2 (IC50=55 nM) are more effectively inhibited by CP-610431 than by the racemate CP-497485, but the S-enantiomer CP-610432 does not significantly inhibit either ACC isoform at doses as high as 3 μM. When it comes to preventing HepG2 cell fatty acid and triglyceride (TG) synthesis as well as TG and apoB secretion, CP-610431 is more effective than CP-497485[1]. With EC50s of 1.6, 1.8, 3.0, and 5.7 μM, CP-610431 inhibits the synthesis of fatty acids, triglycerides, TG, and apolipoprotein B in HepG2 cells (ACC1), but not the synthesis of cholesterol or the secretion of apolipoprotein CIII[1]. With nearly comparable potency, CP-610431 suppresses the ACC activity in the liver and skeletal muscle of all three species (rat, 36 versus 55 nM; mouse, 50 against 63 nM; cynomolgus macaque, 70 versus 26 nM) [1]. With IC50 values of 0.11 and 1.2 μM, CP -610431 suppresses the production of fatty acids and TG in mouse primary hepatocytes, whereas its IC50 value for TG secretion is 10 μM[1].
ln Vivo	CP-610431, with ED50s of 22 and 4 mg/kg, respectively, decreases the production of fatty acids in CD1 mice and ob/ob mice within 1 hour after dosing[1].
Cell Assay	Cell Viability Assay[1] Cell Types: HepG2 cells Tested Concentrations: 0.1, 1, 10 μM Incubation Duration: 24 hrs (hours) Experimental Results: Dose-dependently inhibited HepG2 cell fatty acid synthesis with an IC50 of 1.6 μM, TG synthesis with an IC50 of 1.8 μM, TG secretion with an IC50 of 3.0 μM, and apoB secretion with an IC50 of 5.7 μM.
Animal Protocol	Animal/Disease Models: CD1 mice[1] Doses: 30 and 100 mg/ kg for fasting CD1 mice; 10, 30, and 100 mg/kg for non-fasting CD1 mice Route of Administration: intraperitoneal (ip) administration; 1 hour Experimental Results: Inhibited hepatic fatty acid synthesis in fasting CD1 mice by 64±12%, and 77±4% Inhibited hepatic fatty acid synthesis in non-fasting CD1 mice by 18%, 51%, and 75% at doses of 30 and 100 mg/kg, respectively.
References	[1]. Isozyme-nonselective N-substituted bipiperidylcarboxamide acetyl-CoA carboxylase inhibitors reduce tissue malonyl-CoA concentrations, inhibit fatty acid synthesis, and increase fatty acid oxidation in cultured cells and in exper.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1203 mL	10.6015 mL	21.2031 mL
	5 mM	0.4241 mL	2.1203 mL	4.2406 mL
	10 mM	0.2120 mL	1.0602 mL	2.1203 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.