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 Formule: C₃₉H₃₉ClN₈O₅ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

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

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

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

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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)
• Isomères 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 alternatif: 1293915-42-0
• Termes d'entrée 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
• Poids moléculaire: 735.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Discover Target: PIK3CG

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

Discover Target: PIK3CA

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

Discover Target: PIK3CD

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

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

Discover Target: PIK3CG

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Cibles associées (non humaines)

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

Discover Target: PIK3CA

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive；Moisture sensitive
• Poids moléculaire: 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