TC-F 2 - ≥99%(HPLC) , CAS No.1304778-15-1

CAS: 1304778-15-1 Cat. No.: T287622 Formula: C₂₆H₂₅N₅O₂ Peso molecolare: 439.51 PubChem CID: 25198728

GRADE & PURITY ≥99%(HPLC)

Synonyms

1-[(3S)-1-[4-(2-Benzofuranyl)-2-pyrimidinyl]-3-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-[(3S)-1-[4-(2-Benzofuranyl)-2-pyrimidinyl]-3-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one

Specifiche e purezza

≥99%(HPLC)

Meccanismi biochimici e fisiologici

Potent, reversible inhibitor of fatty acid amide hydrolase (FAAH) (IC50values are 28 and 100 nM for human and rat FAAH respectively). Noncovalent inhibitor; displays selectivity for FAAH over cannabinoid-related targets (IC50> 20μM for CB1, CB2and TRPV1).

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%(HPLC)

Nomi e identificatori

Pubchem Sid

504770014

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770014

Sorrisi canonici

CCN1C2=CC=CC=C2N(C1=O)C3CCCN(C3)C4=NC=CC(=N4)C5=CC6=CC=CC=C6O5

IUPAC Name

1-[(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-ethylbenzimidazol-2-one

InChIKey

NXTBLPPTZRPJCA-IBGZPJMESA-N

INCHI

1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1

Isomeri SMILES

CCN1C2=CC=CC=C2N(C1=O)[C@H]3CCCN(C3)C4=NC=CC(=N4)C5=CC6=CC=CC=C6O5

PubChem CID

25198728

Peso molecolare

439.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzofurans Dialkylarylamines Aminopyrimidines and derivatives Piperidines N-substituted imidazoles Benzenoids Heteroaromatic compounds Furans Ureas Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzofuran - Dialkylarylamine - Aminopyrimidine - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Azole - Imidazole - Furan - Heteroaromatic compound - Urea - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 43.95, Max Conc. mM: 100
• Peso molecolare: 439.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 439.201 Da
• Monoisotopic Mass: 439.201 Da
• Topological Polar Surface Area: 65.700 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 706.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1304778-15-1, the molecular formula is C??H??N?O?, and the molecular weight is 439.51 g/mol. InChIKey NXTBLPPTZRPJCA-IBGZPJMESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.