PRT062607 (P505-15) acetate - Moligand™,≥98% , CAS No.1370261-98-5

CAS: 1370261-98-5 Cat. No.: P669810 Molecular Weight: 453.50

GRADE & PURITY Moligand™, ≥98%

Synonyms

PRT-2607 acetate | BIIB-057 acetate | 4-((3-(2H-1,2,3-Triazol-2-yl)phenyl)amino)-2-(((1R,2S)-2-aminocyclohexyl)amino)pyrimidine-5-carboxamide acetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

PRT-2607 acetate | BIIB-057 acetate | 4-((3-(2H-1, 2, 3-Triazol-2-yl)phenyl)amino)-2-(((1R, 2S)-2-aminocyclohexyl)amino)pyrimidine-5-carboxamide acetate

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

PRT062607 (P505-15) acetate is a available Syk inhibitor (IC50: 1 nM) that inhibits inflammation and induction Apoptosis. PRT062607 acetate exerts potent antitumor activity in tumor xenograft mouse models.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(O)=O.NC(=O)C1C(NC2C=C(C=CC=2)N3N=CC=N3)=NC(=NC=1)N[C@H]4[C@@H](N)CCCC4
• IUPAC Name: acetic acid;2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
• InChIKey: ISHXQLKRUSVKDD-IDVLALEDSA-N
• INCHI: 1S/C19H23N9O.C2H4O2/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;1-2(3)4/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27);1H3,(H,3,4)/t15-,16+;/m0./s1
• Isomeric SMILES: CC(=O)O.C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N
• Alternate CAS: 1370261-98-5；1370261-96-3；1370261-97-4
• MeSH Entry Terms: 4-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-2-(2-aminocyclohexylamino)pyrimidine-5-carboxamide;P505-15;PRT062607
• Molecular Weight: 453.50

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,3-triazoles
• Alternative Parents: Pyrimidinecarboxamides Aniline and substituted anilines Secondary alkylarylamines Aminopyrimidines and derivatives Cyclohexylamines Imidolactams Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Not available
• 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 - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 453.500 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 453.224 Da
• Monoisotopic Mass: 453.224 Da
• Topological Polar Surface Area: 187.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 575.000
• 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

XLogP3