MLT-747 - ≥99% , CAS No.2097853-86-4

CAS: 2097853-86-4 Cat. No.: M647585 Fórmula: C₂₀H₂₁Cl₂N₇O₃ Peso molecular: 478.33 PubChem CID: 129117094

CALIDAD & PUREZA ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

MLT-747 is a potent, selective, allosteric inhibitor of MALT1 , binds MALT1 in the allosteric Trp580 pocket, with an IC 50 of 14 nM

In Vitro

MLT-747 (0-20 μM) stabilizes cellular MALT1-W580S with an EC 50 of 314 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 14 nM (MALT1)

Especificaciones

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

MLT-747 is a potent, selective, allosteric inhibitor of MALT1 , binds MALT1 in the allosteric Trp580 pocket, with an IC 50 of 14 nM.

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

CC(C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=C(N=C3)C(=O)N4CCCC4)Cl)OC

IUPAC Name

1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(pyrrolidine-1-carbonyl)pyridin-3-yl]urea

InChIKey

OJTGJRAKRGEDPI-NSHDSACASA-N

INCHI

1S/C20H21Cl2N7O3/c1-11(32-2)18-14(10-23-16-8-15(22)27-29(16)18)26-20(31)25-12-7-13(21)17(24-9-12)19(30)28-5-3-4-6-28/h7-11H,3-6H2,1-2H3,(H2,25,26,31)/t11-/m0/s1

Isómeros SMILES

C[C@@H](C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=C(N=C3)C(=O)N4CCCC4)Cl)OC

PubChem CID

129117094

Peso molecular

478.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyridinecarboxylic acids and derivatives N-acylpyrrolidines 2-heteroaryl carboxamides Pyrimidines and pyrimidine derivatives Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Ureas Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - N-acylpyrrolidine - Pyrimidine - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrolidine - Pyrazole - Azole - Urea - Carbonic acid derivative - Carboxamide group - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 478.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 477.108 Da
• Monoisotopic Mass: 477.108 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 684.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °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 frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 2097853-86-4, the molecular formula is C20H21Cl2N7O3, and the molecular weight is 478.33 g/mol. InChIKey OJTGJRAKRGEDPI-NSHDSACASA-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.