RV1729 - Moligand™,≥98% , Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase c, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma

CAS: 1293915-42-0 Cat. No.: R613336 Fórmula: C₃₉H₃₉ClN₈O₅ Peso molecular: 735.23

GRADE & PURITY Moligand™, ≥98%

Synonyms

A888861 | BCP24985 | BDBM200639 | 6-[2-[[4-Amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-3,4-dihydro-4-oxo-5-quinazolinyl]-N,N-bis(2-methoxyethyl)-5-hexynamide | 5-Hexynamide, 6-(2-((4-amino-3-(3-hydroxyphen

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

RV-1729 is an inhibitor of the phosphatidylinositol 3-kinase δ subtype (phosphatidylinositol 3-kinase-δ, PI3Kδ). RV-1729 determines its inhibitory effect on the PI3K subtype by the release of phosphatidylinositol 3,4,5-trisphosphate (PIP3) (IC50 = 12 nM), showing a two-fold selectivity for PI3Kδ compared to PI3Kγ, and a 16-fold selectivity for PI3Kα. RV-1729 regulates immune and inflammatory responses by inhibiting PI3Kδ. RV-1729 can be used in studies of asthma and chronic obstructive pulmonary disease (COPD).

Specifications

Sinónimos

A888861 | BCP24985 | BDBM200639 | 6-[2-[[4-Amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-3,4-dihydro-4-oxo-5-quinazolinyl]-N,N-bis(2-methoxyethyl)-5-hexynamide | 5-Hexynamide, 6-(2-((4-amino-3-(3-hydroxyphen

Especificaciones y pureza

Moligand™,≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C,Argon charged

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

Mecanismo de acción

Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

COCCN(CCOC)C(=O)CCCC#CC1=C2C(=CC=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N

IUPAC Name

6-[2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-5-yl]-N,N-bis(2-methoxyethyl)hex-5-ynamide

InChIKey

UBLOHCIYTDRGJH-UHFFFAOYSA-N

INCHI

1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)

Isómeros SMILES

COCCN(CCOC)C(=O)CCCC#CC1=C2C(=CC=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N

CAS alternativo

1293915-42-0

Términos de entrada MeSH

6-(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)methyl)-3-(2-chlorobenzyl)-4-oxo-3,4-dihydroquinazolin-5-yl)-N,N-bis(2-methoxyethyl)hex-5-ynamide;RV-1729

Peso molecular

735.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Quinazolines Pyrazolo[3,4-d]pyrimidines Pyrimidones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopyrimidines and derivatives Chlorobenzenes N-acyl amines Imidolactams Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Lactams Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Quinazoline - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Chlorobenzene - Phenol - Pyrimidone - N-acyl-amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

Objetivos asociados (humanos)

PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (3 Activities)

Discover Target: PIK3CG

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

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (1 Activities)

Discover Target: PIK3CA

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

PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (3 Activities)

Discover Target: PIK3CD

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

PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

Discover Target: PIK3CD

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

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

Discover Target: PIK3CG

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

Objetivos asociados (no humanos)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• Peso molecular: 735.200 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 734.273 Da
• Monoisotopic Mass: 734.273 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1320.000
• 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