Linperlisib - Moligand™, ≥98% , Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta, CAS No.1702816-75-8, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta

CAS: 1702816-75-8 Cat. No.: L611539 Formule: C₂₈H₃₇FN₆O₅S Poids moléculaire: 588.69

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS040758994 | compound 10 [US20160244432] | HY-102031 | MS-30506 | LINPERLISIB [INN] | pi3Kdelta-IN-2 | PI3K.DELTA.-IN-2 | BCP20830 | CTC81675 | PI3Kd-IN-2 | US9656996, Compound 10 | 1702816-75-8 | BPBio1_000712 | (3E)-3-(2-PHENYLHYDRAZIN-1-YLIDENE)-2,3

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

AKOS040758994 | compound 10 [US20160244432] | HY-102031 | MS-30506 | LINPERLISIB [INN] | pi3Kdelta-IN-2 | PI3K.DELTA.-IN-2 | BCP20830 | CTC81675 | PI3Kd-IN-2 | US9656996, Compound 10 | 1702816-75-8 | BPBio1_000712 | (3E)-3-(2-PHENYLHYDRAZIN-1-YLIDENE)-2,3

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

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 delta

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528765389
• Sourires canoniques: COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1
• IUPAC Name: N-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide
• InChIKey: NVWKNQGHVMMAJW-UHFFFAOYSA-N
• INCHI: 1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3
• Isomères SMILES: CC(C)(C1CCN(CC1)CC2=C3C(=CC(=C2)F)C(=NC(=N3)N4CCOCC4)C5=CC(=C(N=C5)OC)NS(=O)(=O)C)O
• Poids moléculaire: 588.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpyrimidines
• Alternative Parents: Quinazolinamines Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Pyridines and derivatives Piperidines Organosulfonamides Organic sulfonamides Morpholines Aryl fluorides Benzenoids Tertiary alcohols Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpyrimidine - Quinazolinamine - Quinazoline - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Aralkylamine - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Piperidine - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Tertiary alcohol - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organofluoride - Organohalogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a 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

Cibles associées (humaines)

PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (0 Activities)

Discover Target: PIK3CD

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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 588.700 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 588.253 Da
• Monoisotopic Mass: 588.253 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 958.000
• 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