Copanlisib dihydrochloride - Moligand™, ≥99% , CAS No.1402152-13-9

CAS: 1402152-13-9 Cat. No.: C651590 Fórmula: C₂₃H₃₀Cl₂N₈O₄ Peso molecular: 553.44 Número EC: 815-039-6

GRADE & PURITY Moligand™, ≥99%

Synonyms

Copanlisib hydrochloride (USAN) | COPANLISIB HYDROCHLORIDE [MI] | COPANLISIB HCI | UNII-03ZI7RZ52O | Q27291473 | BAY 80-6946 dihydrochlorideBAY 80-6946 dihydrochloride | COPANLISIB HYDROCHLORIDE [WHO-DD] | KS-1048 | 03ZI7RZ52O

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Copanlisib dihydrochloride (BAY 80-6946 dihydrochloride) is a potent, selective and ATP-competitive pan-class I PI3K inhibitor, with IC50s of 0.5 nM, 0.7 nM, 3.7 nM and 6.4 nM for PI3Kα, PI3Kδ, PI3Kβ and PI3Kγ, respectively. Copanlisib dihydrochloride has more than 2,000-fold selectivity against other lipid and protein kinases, except for mTOR. Copanlisib dihydrochloride has superior antitumor activity .

Specifications

Sinónimos

Copanlisib hydrochloride (USAN) | COPANLISIB HYDROCHLORIDE [MI] | COPANLISIB HCI | UNII-03ZI7RZ52O | Q27291473 | BAY 80-6946 dihydrochlorideBAY 80-6946 dihydrochloride | COPANLISIB HYDROCHLORIDE [WHO-DD] | KS-1048 | 03ZI7RZ52O

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Copanlisib dihydrochloride (BAY 80-6946 dihydrochloride) is a potent, selective and ATP-competitive pan-class I PI3K inhibitor, with IC 50 s of 0.5 nM, 0.7 nM, 3.7 nM and 6.4 nM for PI3Kα , PI3Kδ , PI3Kβ and PI3Kγ , respectively.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

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

≥99%

Nombres e identificadores

Pubchem Sid

528763936

Sonrisas canónicas

COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5.Cl.Cl

IUPAC Name

2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide;dihydrochloride

InChIKey

KWVVOPDWPMORCQ-UHFFFAOYSA-N

INCHI

1S/C23H28N8O4.2ClH/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15;;/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27);2*1H

Isómeros SMILES

COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5.Cl.Cl

CAS alternativo

1402152-13-9；1032568-63-0

Peso molecular

553.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Pyrimidinecarboxylic acids and derivatives Imidazopyrimidines Anisoles Secondary alkylarylamines Alkyl aryl ethers Morpholines Hydropyrimidines Secondary ketimines Imidazolidines Heteroaromatic compounds Trialkylamines N-acylimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Carboximidamides Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Pyrimidine-5-carboxylic acid or derivatives - Imidazopyrimidine - Anisole - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Benzenoid - Pyrimidine - Oxazinane - Morpholine - 1,2-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Secondary ketimine - Imidazolidine - N-acylimine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

Propiedades químicas y físicas

• Solubilidad: H2O : 20 mg/mL (36.14 mM; Need ultrasonic) DMSO : 5 mg/mL (9.03 mM; ultrasonic and warming and heat to 60°C)
• Sensibilidad: Moisture sensitive
• Peso molecular: 553.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 552.177 Da
• Monoisotopic Mass: 552.177 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 974.000
• 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: 3

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