BCTC - Moligand™, ≥98% , Channel blocker of TRPM8;Channel blocker of TRPV1, CAS No.393514-24-4, Channel blocker of TRPM8;Channel blocker of TRPV1

CAS: 393514-24-4 Cat. No.: B133833 Formula: C₂₀H₂₅ClN₄O Peso molecolare: 372.892 Numero EC: 803-977-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-(3-cloro-2-piridinil)-N-[4-(1,1-dimetiletil)fenil]-1-piperazinecarbossamide | N-(4-tert-butilfenil)-4-(3-cloropiridin-2-il)piperazina-1-carbossamide | N-(4-(tert-butil)fenil)-4-(3-cloropiridin-2-il)piperazina-1-carbossamide

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

Il BCTC è un inibitore potente e specifico del canale dei potenziali cationici del recettore transiente, membro della sottofamiglia M 8 (TRPM8), nelle cellule di cancro alla prostata (PCa) DU145.
Un antagonista efficace e potente del canale TRPV1

Specifications

Sinonimi

4-(3-cloro-2-piridinil)-N-[4-(1,1-dimetiletil)fenil]-1-piperazinecarbossamide | N-(4-tert-butilfenil)-4-(3-cloropiridin-2-il)piperazina-1-carbossamide | N-(4-(tert-butil)fenil)-4-(3-cloropiridin-2-il)piperazina-1-carbossamide

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

BTBC è un efficace e potente antagonista del canale VR1 (vanilloide-1, TRPV1). Il VR1 (TRPV1) è un recettore della capsaicina che si comporta come un canale cationico non selettivo che si trova principalmente nei neuroni sensoriali, e rileva in modo speci

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Grado

Moligand™

Tipo di azione

CHANNEL BLOCKER

Meccanismo d'azione

Channel blocker of TRPM8;Channel blocker of TRPV1

Nota

Per quanto possibile, si consiglia di preparare e utilizzare le soluzioni lo stesso giorno. Tuttavia, se è necessario preparare in anticipo le soluzioni di riserva, si consiglia di conservarle in aliquote in fiale ben chiuse a -20°C. In genere, queste possono essere utilizzate per un mese. In genere, queste soluzioni sono utilizzabili fino a un mese. Prima dell'uso e dell'apertura della fiala, si consiglia di lasciare che il prodotto si equilibri a temperatura ambiente per almeno 1 ora. Avete bisogno di ulteriori consigli su solubilità, uso e manipolazione? Per ulteriori informazioni, visitare la pagina delle domande frequenti (FAQ).

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528763404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763404

Sorrisi canonici

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl

IUPAC Name

N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide

InChIKey

ROGUAPYLUCHQGK-UHFFFAOYSA-N

INCHI

1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)

Isomeri SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl

WGK Germania

3

Peso molecolare

372.892

Reaxy-Rn

9509541

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9509541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines N-phenylureas Piperazine carboxamides Phenylpropanes Dialkylarylamines Aminopyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - N-phenylurea - Phenylpropane - Piperazine-1-carboxamide - Dialkylarylamine - Aminopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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 (umani)

TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (23 Activities)

Discover Target: TRPV1

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

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

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

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (3 Activities)

Discover Target: TRPM8

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

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

TRPV4 Tchem Transient receptor potential cation channel subfamily V member 4 (774 Activities)

Discover Target: TRPV4

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

U2OS (164939 Activities)

Explore this target

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

HEK-293T (167025 Activities)

Explore this target

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

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

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

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

GCGR Uncharacterized protein (2 Activities)

Discover Target: GCGR

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (20 mg/ml), ethanol (15 mg/ml with warming), and DMF.
• Punto di fusione (°C): 150-152°C
• Peso molecolare: 372.900 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 372.172 Da
• Monoisotopic Mass: 372.172 Da
• Topological Polar Surface Area: 48.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 465.000
• 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