Pz-1 - Moligand™, ≥99% , CAS No.1800505-64-9

CAS: 1800505-64-9 Cat. No.: P648130 分子式: C₂₆H₂₆N₆O₂ 分子量: 454.52 PubChem CID: 102004343

GRADE & PURITY Moligand™, ≥99%

Synonyms

N-(5-(tert-Butyl)isoxazol-3-yl)-2-(4-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)phenyl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Pz-1 is a potent RET and VEGFR2 inhibitor with IC 50 s of less than 1 nM for both wild type kinases.

Specifications

同義語

N-(5-(tert-Butyl)isoxazol-3-yl)-2-(4-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)phenyl)acetamide

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

Pz-1 is a potent RET and VEGFR2 inhibitor with IC 50 s of less than 1 nM for both wild type kinases.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

カノニカル・スマイル

CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CN(N=C5)C

IUPAC Name

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide

InChIKey

NJLMIILZNLZZFW-UHFFFAOYSA-N

INCHI

1S/C26H26N6O2/c1-26(2,3)23-13-24(30-34-23)29-25(33)11-17-5-8-20(9-6-17)32-16-27-21-12-18(7-10-22(21)32)19-14-28-31(4)15-19/h5-10,12-16H,11H2,1-4H3,(H,29,30,33)

異性体SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CN(N=C5)C

PubChem CID

102004343

分子量

454.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles Phenylacetamides N-arylamides N-substituted imidazoles Imidolactams Pyrazoles Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 1-phenylimidazole - Phenylacetamide - N-arylamide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidolactam - Azole - Imidazole - Isoxazole - Pyrazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to 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

化学的性質と物理的性質

• 溶解度: DMSO : 50 mg/mL (110.01 mM; Need ultrasonic)
• 分子量: 454.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 454.212 Da
• Monoisotopic Mass: 454.212 Da
• Topological Polar Surface Area: 90.800 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 706.000
• 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