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CP 640186 - 98%, high purity , CAS No.591778-68-6, Inhibitor of Acetyl-CoA carboxylase 1;Inhibitor of Acetyl-CoA carboxylase 2

COA COA
In stock
Item Number
C413618
Grouped product items
SKU Size
Availability
 Price Qty
C413618-1mg
1mg
3
$28.90
C413618-5mg
5mg
3
$117.90
C413618-25mg
25mg
3
$531.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Acetyl-CoA carboxylase Inhibitors

View related series
Acetyl-CoA Carboxylase (19) Acetyl-CoA carboxylase 1 Inhibitor (4) Acetyl-CoA carboxylase 2 Inhibitor (6) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms AKOS027254693 | 1w2x | CC3 | (Anthracen-9-yl)((3R)-3-((morpholin-4-yl)carbonyl)(1,4')bipiperidinyl-1'-yl)methanone | CHEBI:45293 | (3R)-1'-(ANTHRACENE-9-CARBONYL)-3-(MORPHOLINE-4-CARBONYL)-1,4'-BIPIPERIDINE | RCP | EN300-18161237 | LDQKDRLEMKIYMC-XMMPIXPA
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms CP 640186 is an isozyme-nonselective ACC (Acetyl-CoA carboxylase) inhibitor with IC50 values of 53 and 61 nM for rat liver ACC1 and rat skeletal muscle ACC2, respectively.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of Acetyl-CoA carboxylase 1;Inhibitor of Acetyl-CoA carboxylase 2
Product Description

Information

CP 640186 CP 640186 is an isozyme-nonselective ACC (Acetyl-CoA carboxylase) inhibitor with IC50 values of 53 and 61 nM for rat liver ACC1 and rat skeletal muscle ACC2, respectively.


Targets

ACC 55 nM


In vitro

CP-610431 inhibited ACC1 and ACC2 with IC50s of ∼50 nm. Inhibition was reversible, uncompetitive with respect to ATP, and non-competitive with respect to bicarbonate, acetyl-CoA, and citrate. CP-610431 also inhibited fatty acid synthesis, triglyceride (TG) synthesis, TG secretion, and apolipoprotein B secretion in HepG2 cells (ACC1) with EC50s of 1.6, 1.8, 3.0, and 5.7 μM, without affecting either cholesterol synthesis or apolipoprotein CIII secretion. It also inhibited both isozymes with IC50s of ∼55 nM in inhibiting HepG2 cell fatty acid and TG synthesis. CP-610431 stimulated fatty acid oxidation in C2C12 cells (ACC2) and in rat epitrochlearis muscle strips with EC50s of 57 nM and 1.3 μM.


In vivo

In rats, CP-640186 lowered hepatic, soleus muscle, quadriceps muscle, and cardiac muscle malonyl-CoA with ED50s of 55, 6, 15, and 8 mg/kg. Consequently, CP-640186 inhibited fatty acid synthesis in rats, CD1 mice, and ob/ob mice with ED50s of 13, 11, and 4 mg/kg, and stimulated rat whole body fatty acid oxidation with an ED50 of ∼30 mg/kg. Pharmacokinetic evaluation of CP-640186 in male Sprague-Dawley rats (intravenous dose, 5 mg/kg; oral dose, 10 mg/kg) yielded a plasma half-life of 1.5 h, a bioavailability of 39%, a Clp of 65 ml/min/kg, a Vdss of 5 liters/kg, an oral Tmax of 1.0 h, an oral Cmax of 345 ng/ml, and an oral AUC0-∞ of 960 ng·h/ml. At the same dose level, pharmacokinetic evaluation of CP-640186 in ob/ob mice yielded a plasma half-life of 1.1 h, a bioavailability of 50%, a Clp of 54 ml/min/kg, an oral Tmax of 0.25 h, an oral Cmax of 2177 ng/ml, and an oral AUC0-∞ of 3068 ng·h/ml.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Anthracenes
Subclass Anthracenecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Anthracenecarboxylic acids and derivatives
Alternative Parents N-benzoylpiperidines  Naphthalenecarboxamides  Piperidinecarboxamides  Aminopiperidines  Morpholines  Tertiary carboxylic acid amides  Trialkylamines  Amino acids and derivatives  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Anthracene carboxylic acid or derivatives - N-benzoylpiperidine - 1-naphthalenecarboxamide - 1-naphthalenecarboxylic acid or derivatives - N-acyl-piperidine - Piperidinecarboxamide - 3-piperidinecarboxamide - 4-aminopiperidine - Morpholine - Piperidine - Oxazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as anthracenecarboxylic acids and derivatives. These are organic compounds containing a carboxylic acid group (or a derivative thereof) attached to an anthracene ring system.
External Descriptors N-acylpiperidine - morpholines - anthracenes - bipiperidines

Product Properties

ALogP 2.88
hba_count 3
Rotatable Bond 3

Associated Targets(Human)

ACACB Tchem Acetyl-CoA carboxylase 2 (6 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ACACA Tchem Acetyl-CoA carboxylase 1 (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ACACA Tchem Acetyl-CoA carboxylase 1 (794 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACACB Tchem Acetyl-CoA carboxylase 2 (3474 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Acetyl-Coenzyme A carboxylase 2 (5 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACCase Acetyl-CoA carboxylase (4 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504758884
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758884
IUPAC Name [(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
INCHI InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1
InChIKey LDQKDRLEMKIYMC-XMMPIXPASA-N
Smiles C1CC(CN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)N6CCOCC6
Isomeric SMILES C1C[C@H](CN(C1)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)N6CCOCC6
Molecular Weight 485.62
Reaxy-Rn 14183663
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14183663&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
J2213398 Certificate of Analysis Jun 14, 2022 C413618
J2213396 Certificate of Analysis Jun 14, 2022 C413618
J2213406 Certificate of Analysis Jun 14, 2022 C413618

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 97 mg/mL (199.74 mM); Ethanol: 97 mg/mL (199.74 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility 97
DMSO(mM) Max Solubility 199.744656315638
Water(mg / mL) Max Solubility ＜1
Molecular Weight 485.600 g/mol
XLogP3 4.100
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 485.268 Da
Monoisotopic Mass 485.268 Da
Topological Polar Surface Area 53.100 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 753.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Solution Calculators

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