LY900009 - Moligand™, ≥98% , CAS No.209984-68-9

CAS: 209984-68-9 Cat. No.: L649118 Fórmula: C₂₃H₂₇N₃O₄ Peso molecular: 409.48 PubChem CID: 57327010

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide | LY900009 | LY-900009 | (2S)-N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-2-hydr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

LY900009 is a potent and orally active, First-in-class inhibitor of Notch signaling via selective inhibition of the γ-secretase protein (GSI). LY900009 inhibited Notch signalling in tumor cell lines and endothelial cells (IC 50 range: 0.005-20 nM). LY900009 can be used for advanced cancer research.

In Vivo

LY900009 (oral gavage; 3 mg/kg; single dosage) revealed inhibition of angiogenesis through formation of leaky vasculature and produced tumour regression in Notch-dependent tumour models in a rat model . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide | LY900009 | LY-900009 | (2S)-N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-2-hydr

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

LY900009 is a potent and orally active, First-in-class inhibitor of Notch signaling via selective inhibition of the γ-secretase protein (GSI) . LY900009 inhibited Notch signalling in tumor cell lines and endothelial cells (IC 50 range: 0.005-20 nM). LY900

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(C)C(C(=O)NC(C)C(=O)NC1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)O

IUPAC Name

(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide

InChIKey

JURYTIUJMYPBNN-GKCIPKSASA-N

INCHI

1S/C23H27N3O4/c1-13(2)20(27)22(29)24-14(3)21(28)25-19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)26(4)23(19)30/h5-14,19-20,27H,1-4H3,(H,24,29)(H,25,28)/t14-,19-,20-/m0/s1

Isómeros SMILES

C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)NC(=O)[C@H](C(C)C)O

CAS alternativo

209984-68-9

PubChem CID

57327010

Términos de entrada MeSH

LY900009

Peso molecular

409.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Dibenzazepines N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Azepines Benzenoids N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Lactams Azacyclic compounds Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Dibenzazepine - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Benzazepine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Azepine - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Tertiary carboxylic acid amide - Lactam - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Organoheterocyclic compound - Azacycle - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 409.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 409.2 Da
• Monoisotopic Mass: 409.2 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 652.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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