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

CAS: 1370261-97-4 Cat. No.: P129908 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N.Cl
• Alternate CAS: 1370261-96-3
• PubChem CID: 56948527
• Molecular Weight: 429.91

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 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
• 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

• Solubility: DMSO 86 mg/mL Water 86 mg/mL Ethanol
• Molecular Weight: 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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