tinlorafenib - Moligand™, ≥98% , Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase, CAS No.2573781-75-4, Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase

CAS: 2573781-75-4 Cat. No.: T614465 분자식: C₁₉H₁₉ClF₂N₄O₃S 분자량: 456.89

GRADE & PURITY Moligand™, ≥98%

Synonyms

ARRY461 | ARRY-461 | BDBM565133 | UNII-JNJ5N2RH5W | Tinlorafenib | Tinlorafenib [WHO-DD] | JNJ5N2RH5W | 1-Propanesulfonamide, N-(2-chloro-3-((3,4-dihydro-3,5-dimethyl-4-oxo-6-quinazolinyl)amino)-4-fluorophenyl)-3-fluoro- | PF-07284890; ARRY-461 | SCHEMBL2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Tinlorafenib (PF-07284890) (compound 10) is an active BRAF kinase inhibitor, with IC50s of 4.25 and 2.7 nM for BRAFV600E/V600K respectively. Tinlorafenib demonstrates CNS penetration and can be used in the research of BRAF-associated malignant and benign tumors of the CNS as well as extracranial malignancies

Specifications

동의어

ARRY461 | ARRY-461 | BDBM565133 | UNII-JNJ5N2RH5W | Tinlorafenib | Tinlorafenib [WHO-DD] | JNJ5N2RH5W | 1-Propanesulfonamide, N-(2-chloro-3-((3,4-dihydro-3,5-dimethyl-4-oxo-6-quinazolinyl)amino)-4-fluorophenyl)-3-fluoro- | PF-07284890; ARRY-461 | SCHEMBL2

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of Raf-1 proto-oncogene; serine/threonine kinase

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528767507
• 정식 스마일: Clc1c(ccc(c1Nc1c(c2c(=O)n(cnc2cc1)C)C)F)NS(=O)(=O)CCCF
• InChIKey: VVLVISDSGRHLMB-UHFFFAOYSA-N
• INCHI: 1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3
• 이성체 SMILES: CC1=C(C=CC2=C1C(=O)N(C=N2)C)NC3=C(C=CC(=C3Cl)NS(=O)(=O)CCCF)F
• 분자량: 456.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Sulfanilides Pyrimidones Fluorobenzenes Chlorobenzenes Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Lactams Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Sulfanilide - Pyrimidone - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

관련 대상(인간)

RAF1 Tclin RAF proto-oncogene serine/threonine-protein kinase (0 Activities)

Discover Target: RAF1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BRAF Tclin Serine/threonine-protein kinase B-raf (0 Activities)

Discover Target: BRAF

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 분자량: 456.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 456.083 Da
• Monoisotopic Mass: 456.083 Da
• Topological Polar Surface Area: 99.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 751.000
• 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