PhiKan 083 - Moligand™,≥95% , CAS No.880813-36-5

CAS: 880813-36-5 Cat. No.: P342330 Fórmula: C₁₆H₁₈N₂ Peso molecular: 238.33 Número CE: 819-501-8 PubChem CID: 4722579

GRADE & PURITY Moligand™, ≥95%

Synonyms

PhiKan-083 Hydrochloride | 1-(9-ethylcarbazol-3-yl)-N-methylmethanamine | BDBM50403665 | AKOS000284549 | MS-23391 | NCGC00379107-02 | DB08363 | 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine | A934180 | 9-Ethyl-N-methyl-carbazole-3-methanamine | phikan0

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

PhiKan 083 is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM. PhiKan 083 can be used for cancer research

Specifications

Sinónimos

PhiKan-083 Hydrochloride | 1-(9-ethylcarbazol-3-yl)-N-methylmethanamine | BDBM50403665 | AKOS000284549 | MS-23391 | NCGC00379107-02 | DB08363 | 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine | A934180 | 9-Ethyl-N-methyl-carbazole-3-methanamine | phikan0

Especificações e pureza

Moligand™,≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCN1C2=C(C=C(C=C2)CNC)C3=CC=CC=C31
• IUPAC Name: 1-(9-ethylcarbazol-3-yl)-N-methylmethanamine
• InChIKey: LBPNOEAFWYTTEB-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3
• SMILES isoméricas: CCN1C2=C(C=C(C=C2)CNC)C3=CC=CC=C31
• PubChem CID: 4722579
• Peso molecular: 238.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene 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

Alvos associados (humanos)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

BXPC-3 (2997 Activities)

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

Huh-7 (12904 Activities)

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

NUGC-3 (976 Activities)

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

NUGC-4 (61 Activities)

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

SW1088 (137 Activities)

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

WI-38 (2654 Activities)

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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (100 mM), and water (50 mM).
• Peso molecular: 238.330 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 238.147 Da
• Monoisotopic Mass: 238.147 Da
• Topological Polar Surface Area: 17.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 278.000
• 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