PTC 209 - ≥98%(HPLC) , CAS No.315704-66-6

CAS: 315704-66-6 Cat. No.: P287327 Peso molecular: 495.19 Número EC: 808-910-7 PubChem CID: 1117196

GRADE & PURITY ≥98%(HPLC)

Synonyms

FT-0700288 | Oprea1_578634 | EN300-175183 | PTC209 | PTC-209 | AS-16950 | s7372 | AC-32640 | BCP09028 | HY-15888 | N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine | C17H13Br2N5OS | HMS3653M18 | PTC 209 | Oprea1_5891

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

product description：

PTC-209 is a potent and selective BMI-1 inhibitor with IC50 of 0.5 μM in HEK293T cell line, and results in irreversible reduction of cancer-initiating cells (CICs).

Specifications

Sinónimos

FT-0700288 | Oprea1_578634 | EN300-175183 | PTC209 | PTC-209 | AS-16950 | s7372 | AC-32640 | BCP09028 | HY-15888 | N-(2, 6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1, 2-a]pyrimidin-3-yl)thiazol-2-amine | C17H13Br2N5OS | HMS3653M18 | PTC 209 | Oprea1_5891

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Bmi-1 inhibitor (IC50~ 0.5μM); irreversibly impairs colorectal cancer-initiating cell (CIC) growth. Reduces tumor growth in CIC xenograft assays and results in reduced potential of colorectal cancer cells to initiate tumorsin vivo.

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%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504760391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760391
• Sonrisas canónicas: CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=C(C=C4Br)OC)Br
• IUPAC Name: N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
• InChIKey: XVOOCQSWCCRVDY-UHFFFAOYSA-N
• INCHI: 1S/C17H13Br2N5OS/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)
• Isómeros SMILES: CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=C(C=C4Br)OC)Br
• PubChem CID: 1117196
• Peso molecular: 495.19

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 Phenoxy compounds Methoxybenzenes Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers Bromobenzenes Pyrimidines and pyrimidine derivatives 2-amino-1,3-thiazoles N-substituted imidazoles Aryl bromides Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organobromides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyrimidine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 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 - Pyrimidine - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Azole - Imidazole - Heteroaromatic compound - Secondary amine - Azacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - 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

Objetivos asociados (humanos)

HCT-8 (3484 Activities)

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

HT-29 (80576 Activities)

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

HCT-116 (91556 Activities)

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

BMI1 Tbio Polycomb complex protein BMI-1 (42 Activities)

Discover Target: BMI1

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 49.52, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 9.9, Max Conc. mM: 20
• Peso molecular: 495.200 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 494.919 Da
• Monoisotopic Mass: 492.921 Da
• Topological Polar Surface Area: 92.600 Ų
• Heavy Atom Count: 26
• 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: 1