PFI-2 - Moligand™, ≥98% , Inhibitor of SET domain containing 7; histone lysine methyltransferase, CAS No.1627676-59-8, Inhibitor of SET domain containing 7; histone lysine methyltransferase

CAS: 1627676-59-8 Cat. No.: P276093 Fórmula: C₂₃H₂₅F₄N₃O₃S Peso molecular: 499.5 PubChem CID: 71300326

GRADE & PURITY Moligand™, ≥98%

Synonyms

(R)-8-Fluoro-N-(1-oxo-1-(pirrolidin-1-il)-3-(3-(trifluorometil)fenil)propan-2-il)-1,2,3,4-tetrahidroisoquinolina-6-sulfonamida

Storage

Protegido da luz, conservar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Expedido a 4°C. Armazenar a -20°C. Armazenar no escuro.

Specifications

Sinónimos

(R)-8-Fluoro-N-(1-oxo-1-(pirrolidin-1-il)-3-(3-(trifluorometil)fenil)propan-2-il)-1,2,3,4-tetrahidroisoquinolina-6-sulfonamida

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Um inibidor potente e seletivo da histona lisina metiltransferase SETD7. K i = 0,33 nM e IC 50 = 2 nM contra SETD7. Apresenta uma seletividade > 1000 vezes superior em relação à DNMT1 e a muitas outras \xa0metiltransferases.

Condições de armazenamento de armazenamento

Protegido da luz, conservar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of SET domain containing 7; histone lysine methyltransferase

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar-se à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: C1CCN(C1)C(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F
• IUPAC Name: 8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
• InChIKey: JCKGSPAAPQRPBW-OAQYLSRUSA-N
• INCHI: 1S/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/m1/s1
• SMILES isoméricas: C1CCN(C1)C(=O)[C@@H](CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F
• PubChem CID: 71300326
• Peso molecular: 499.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Trifluoromethylbenzenes Tetrahydroisoquinolines Amphetamines and derivatives N-acylpyrrolidines Aralkylamines Organosulfonamides Aryl fluorides Aminosulfonyl compounds Tertiary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Amphetamine or derivatives - Trifluoromethylbenzene - Tetrahydroisoquinoline - N-acylpyrrolidine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Alvos associados (humanos)

SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (5 Activities)

Discover Target: SETD7

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

SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 Activities)

Discover Target: SETD7

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

Alvos associados (não humanos)

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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 50 mM
• Peso molecular: 499.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 499.155 Da
• Monoisotopic Mass: 499.155 Da
• Topological Polar Surface Area: 86.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 813.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1627676-59-8, the molecular formula is C23H25F4N3O3S, and the molecular weight is 499.5 g/mol. InChIKey JCKGSPAAPQRPBW-OAQYLSRUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.