PLX7922 - ≥98% , CAS No.1638772-61-8

CAS: 1638772-61-8 Cat. No.: P651473 분자식: \n C₂₀H₂₅FN₆O₂S₂ 분자량: 464.58 PubChem CID: 91971376

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

PLX7922, a RAF inhibitor, can bind with BRAF V600E . PLX7922 inhibits pERK in BRAF V600E cell lines, and activates pERK in mutant NRAS cell lines

In Vitro

PLX7922 (1-1000 nM) inhibits pERK in BRAF V600E cell lines, activates pERK in mutant NRAS cell lines (B9 and IPC-298). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:RAF

Specifications

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

PLX7922, a RAF inhibitor, can bind with BRAF V600E . PLX7922 inhibits pERK in BRAF V600E cell lines, and activates pERK in mutant NRAS cell lines.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: CCN(C)S(=O)(=O)NC1=CC=CC(=C1F)C2=C(SC(=N2)C(C)(C)C)C3=NC(=NC=C3)N
• IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-tert-butyl-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-1,3-thiazole
• InChIKey: YBUJMZKTOUBMGW-UHFFFAOYSA-N
• INCHI: 1S/C20H25FN6O2S2/c1-6-27(5)31(28,29)26-13-9-7-8-12(15(13)21)16-17(14-10-11-23-19(22)24-14)30-18(25-16)20(2,3)4/h7-11,26H,6H2,1-5H3,(H2,22,23,24)
• 이성체 SMILES: CCN(C)S(=O)(=O)NC1=CC=CC(=C1F)C2=C(SC(=N2)C(C)(C)C)C3=NC(=NC=C3)N
• PubChem CID: 91971376
• 분자량: 464.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: 2,4,5-trisubstituted thiazoles Fluorobenzenes Aminopyrimidines and derivatives Sulfuric acid diamides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfanilide - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrimidine - Sulfuric acid diamide - Heteroaromatic compound - Azole - Thiazole - Organic sulfuric acid or derivatives - Azacycle - Organoheterocyclic compound - Organohalogen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (215.25 mM; Need ultrasonic)
• 분자량: 464.600 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 464.146 Da
• Monoisotopic Mass: 464.146 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 701.000
• 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