PF 05175157 - ≥98%(HPLC) , Acetyl-CoA carboxylase inhibitor, CAS No.1301214-47-0, Acetyl-CoA carboxylase inhibitor

CAS: 1301214-47-0 Cat. No.: P288592 Formule: C₂₃H₂₇N₅O₂ Poids moléculaire: 405.49 PubChem CID: 52934180

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

Z2327390391 | NCGC00421916-02 | s6672 | BCC21447 | (3-Methyl-5-isopropylphenyl)-N-methylcarbamat [German] | 1'-(2-methyl-3H-benzimidazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one | 1-Isopropyl-1'-(2-methyl-1H-benzo[d]imida

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product Application:

PF-05175157 is broad spectrum acetyl-CoA carboxylase (ACC) inhibitor with IC50s of 27.0, 33.0, 23.5 and 50.4 nM for ACC1 (human), ACC2 (human), ACC1 (rat), ACC2 (rat), respectively.

Product Describtion:

PF-05175157 has been used as an acetyl-Coenzyme A carboxylase (ACC) inhibitor to study its effects on the infection of flavivirus. 

Spécifications

Synonymes

Z2327390391 | NCGC00421916-02 | s6672 | BCC21447 | (3-Methyl-5-isopropylphenyl)-N-methylcarbamat [German] | 1'-(2-methyl-3H-benzimidazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one | 1-Isopropyl-1'-(2-methyl-1H-benzo[d]imida

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Acetyl-CoA carboxylase (ACC) 2 and 1 inhibitor (IC50values are 45 and 98 nM, respectively). Reduces hepatic and skeletal muscle malonyl-CoA levels in rats. Also inhibits hepaticde novolipogenesis and reduces whole body respiratory exchange ratio in rats.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Acetyl-CoA carboxylase inhibitor

Pureté

≥98%(HPLC)

Propriétés du produit

ALogP

2.7

Noms et identifiants

Pubchem Sid

488201524

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201524

Sourires canoniques

CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC4(CC3)CC5=C(C(=O)C4)N(N=C5)C(C)C

IUPAC Name

1'-(2-methyl-3H-benzimidazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

InChIKey

BDXXSFOJPYSYOC-UHFFFAOYSA-N

INCHI

1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)

Isomères SMILES

CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC4(CC3)CC5=C(C(=O)C4)N(N=C5)C(C)C

PubChem CID

52934180

Poids moléculaire

405.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass N-acylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: N-acylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzoylpiperidines
• Alternative Parents: Benzimidazoles Aryl alkyl ketones Benzenoids Tertiary carboxylic acid amides Pyrazoles Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-benzoylpiperidine - Benzimidazole - Aryl ketone - Aryl alkyl ketone - Benzenoid - Azole - Imidazole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

ACACB Tchem Acetyl-CoA carboxylase 2 (2 Activities)

Discover Target: ACACB

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

ACACA Tchem Acetyl-CoA carboxylase 1 (2 Activities)

Discover Target: ACACA

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

ACACA Tchem Acetyl-CoA carboxylase 1 (794 Activities)

Discover Target: ACACA

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

ACACB Tchem Acetyl-CoA carboxylase 2 (3474 Activities)

Discover Target: ACACB

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

CYP3A5 Tclin Cytochrome P450 3A5 (525 Activities)

Discover Target: CYP3A5

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

Homo sapiens (32628 Activities)

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Cibles associées (non humaines)

Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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Rhesus monkey (3147 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Liver microsome (341 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 20.27, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 8.11, Max Conc. mM: 20
• Sensibilité: light sensitive
• Poids moléculaire: 405.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 405.216 Da
• Monoisotopic Mass: 405.216 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 689.000
• 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