Inhibitor 6e (PRMT1 inhibitor 6e) - ≥98% , CAS No.1025948-98-4

CAS: 1025948-98-4 Cat. No.: I275552 Peso molecular: 820.7

GRADE & PURITY ≥98%

Synonyms

4-Amino-3,5-dibromo-2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoicacid

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

4-Amino-3, 5-dibromo-2-(2, 4, 5, 7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoicacid

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

PRMT1 inhibitor (IC 50 values are 4.8 μM and 22 for hPRMT1 and RmtA, respectively). Docks in both binding sites of the histone arginine methyltransferase pocket.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1Br)O)Br)Br)Br)C4=C(C(=C(C=C4C(=O)O)Br)N)Br
• IUPAC Name: 4-amino-3,5-dibromo-2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
• InChIKey: PSILLVDSFALROT-UHFFFAOYSA-N
• INCHI: 1S/C20H7Br6NO5/c21-7-3-6(20(30)31)11(12(24)15(7)27)10-4-1-8(22)16(28)13(25)18(4)32-19-5(10)2-9(23)17(29)14(19)26/h1-3,28H,27H2,(H,30,31)
• Isómeros SMILES: C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1Br)O)Br)Br)Br)C4=C(C(=C(C=C4C(=O)O)Br)N)Br
• Peso molecular: 820.7
• Reaxy-Rn: 10744920
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10744920&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: 3-halobenzoic acids Aminobenzoic acids Halobenzoic acids Benzoic acids 2-bromoanilines O-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Amino acids Cyclic ketones Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines Organobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Aminobenzoic acid - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - 2-bromophenol - 2-halophenol - Benzoyl - Aniline or substituted anilines - 2-bromoaniline - Halobenzene - Bromobenzene - Phenol - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Cyclic ketone - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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)

PRMT1 Tchem Protein-arginine N-methyltransferase 1 (867 Activities)

Discover Target: PRMT1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM