PRT062607 (P505-15, BIIB057) HCl - ≥98% , CAS No.1370261-97-4

CAS: 1370261-97-4 Cat. No.: P129908 Peso molecular: 429.91 PubChem CID: 56948527

GRADE & PURITY ≥98%

Synonyms

PRT062607 Hydrochloride | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide hydrochloride | P505-15 HCl salt, PRT062607 HCl salt,PRT-2607 HCl salt, BIIB-057 HCl salt | CCG-269003 | HY-15323 | VEC26196

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PRT062607 (P505-15) HCl is a novel, highly selective Syk inhibitor with IC50 of 1 nM, >80-fold selective for Syk than Fgr, Lyn, FAK, Pyk2 and Zap70.

Specifications

Sinónimos

PRT062607 Hydrochloride | 2-{[(1R, 2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1, 2, 3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide hydrochloride | P505-15 HCl salt, PRT062607 HCl salt, PRT-2607 HCl salt, BIIB-057 HCl salt | CCG-269003 | HY-15323 | VEC26196

Especificaciones y pureza

≥98%

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.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N.Cl
• IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;hydrochloride
• InChIKey: RMNLLPXCNDZJMJ-IDVLALEDSA-N
• INCHI: 1S/C19H23N9O.ClH/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28;/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27);1H/t15-,16+;/m0./s1
• Isómeros SMILES: C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N.Cl
• CAS alternativo: 1370261-96-3
• PubChem CID: 56948527
• Peso molecular: 429.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,3-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,3-triazoles
• Alternative Parents: Pyrimidinecarboxamides Aniline and substituted anilines Aminopyrimidines and derivatives Secondary alkylarylamines Cyclohexylamines Imidolactams Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organooxygen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,3-triazole - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - Cyclohexylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Secondary amine - Carboxylic acid derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Primary amine - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by 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

Propiedades químicas y físicas

• Solubilidad: DMSO 86 mg/mL Water 86 mg/mL Ethanol
• Peso molecular: 429.900 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 429.179 Da
• Monoisotopic Mass: 429.179 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 544.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

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