Mps1-IN-3 - ≥99% , CAS No.1609584-72-6

CAS: 1609584-72-6 Cat. No.: M646931 Fórmula: C₂₆H₃₁N₇O₄S Peso molecular: 537.63 PubChem CID: 91885443

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Mps1-IN-3 is a potent and selective MPS1 kinase inhibitor, with an IC 50 of 50 nM.

In Vitro

Mps1-IN-3 is a potent MPS1 kinase inhibitor, with an IC 50 of 50 nM. Mps1-IN-3 inhibits the proliferation of U251 glioblastoma cells with an IC 50 of appr 5 µM. Mps1-IN-3 (2 μM) can completely abrogates checkpoint. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Mps1-IN-3 (2 mg/kg, i.v.) sensitizes glioblastoma cells in murine tumor models, with prolonged survival and no toxicity . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Mps1 50 nM (IC 50 )

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Mps1-IN-3 is a potent and selective MPS1 kinase inhibitor, with an IC 50 of 50 nM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2NC=N3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC

IUPAC Name

1-[3-methoxy-4-[[6-(2-propan-2-ylsulfonylanilino)-7H-purin-2-yl]amino]phenyl]piperidin-4-ol

InChIKey

OFRMASLPWOMYHN-UHFFFAOYSA-N

INCHI

1S/C26H31N7O4S/c1-16(2)38(35,36)22-7-5-4-6-20(22)29-25-23-24(28-15-27-23)31-26(32-25)30-19-9-8-17(14-21(19)37-3)33-12-10-18(34)11-13-33/h4-9,14-16,18,34H,10-13H2,1-3H3,(H3,27,28,29,30,31,32)

Isómeros SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2NC=N3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC

PubChem CID

91885443

Peso molecular

537.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: 6-aminopurines Aminophenyl ethers Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Sulfones Imidazoles Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - 6-aminopurine - Imidazopyrimidine - Aminophenyl ether - Purine - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Sulfonyl - Imidazole - Sulfone - Azole - Heteroaromatic compound - Tertiary amine - Secondary alcohol - Ether - Azacycle - Organosulfur compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

• Solubilidad: DMSO : 31.25 mg/mL (58.13 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 537.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 537.216 Da
• Monoisotopic Mass: 537.216 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 866.000
• 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

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 1609584-72-6, the molecular formula is C26H31N7O4S, and the molecular weight is 537.63 g/mol. InChIKey OFRMASLPWOMYHN-UHFFFAOYSA-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.