PTC-209 HBr - ≥98% , CAS No.1217022-63-3

CAS: 1217022-63-3 Cat. No.: P342998 Peso molecular: 576.1 PubChem CID: 76458124

GRADE & PURITY ≥98%

Synonyms

PTC-209 hydrobromide | N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

PTC-209 hydrobromide | N-(2, 6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1, 2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

PTC-209 HBr is the hydrobromide salt of PTC-209, which is a potent and selective BMI-1 inhibitor with IC50 of 0.5 μM, and results in irreversible reduction of cancer-initiating cells (CICs).

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504772395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772395
• Sonrisas canónicas: CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=C(C=C4Br)OC)Br.Br
• IUPAC Name: N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
• InChIKey: UOPFJYYKFDZXSY-UHFFFAOYSA-N
• INCHI: 1S/C17H13Br2N5OS.BrH/c1-9-15(24-5-3-4-20-16(24)21-9)13-8-26-17(22-13)23-14-11(18)6-10(25-2)7-12(14)19;/h3-8H,1-2H3,(H,22,23);1H
• Isómeros SMILES: CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=C(C=C4Br)OC)Br.Br
• PubChem CID: 76458124
• Peso molecular: 576.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazo[1,2-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazo[1,2-a]pyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo[1,2-a]pyrimidines
• Alternative Parents: Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Bromobenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers 2-amino-1,3-thiazoles Pyrimidines and pyrimidine derivatives Aryl bromides N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Hydrobromides Amines Organobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyrimidine - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - 1,3-thiazol-2-amine - Pyrimidine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Thiazole - Azacycle - Ether - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrobromide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazo[1,2-a]pyrimidines. These are aromatic heteropolycyclic compounds containing an imidazole ring fused to and sharing one nitrogen with a pyrimidine ring.
• 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: ≥22.9 mg/mL in DMSO with gentle warming; insoluble in EtOH; insoluble in H2O
• Peso molecular: 576.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 574.845 Da
• Monoisotopic Mass: 572.847 Da
• Topological Polar Surface Area: 92.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 480.000
• 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: 2

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