OSI-027 - ≥95% , Serine/threonine-protein kinase mTOR inhibitor, CAS No.936890-98-1, Serine/threonine-protein kinase mTOR inhibitor

CAS: 936890-98-1 Cat. No.: O127920 Peso molecular: 406.45

GRADE & PURITY ≥95%

Synonyms

4-[4-amino-5-(7-methoxy-2-indolylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]-1-cyclohexanecarboxylic acid | AC-4802 | DB12387 | OSI 027 | (1r,4r)-4-(4-Amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl)cyclohexane-1-carboxylic acid | CCG-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-[4-amino-5-(7-methoxy-2-indolylidene)-1H-imidazo[5, 1-f][1, 2, 4]triazin-7-yl]-1-cyclohexanecarboxylic acid | AC-4802 | DB12387 | OSI 027 | (1r, 4r)-4-(4-Amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5, 1-f][1, 2, 4]triazin-7-yl)cyclohexane-1-carboxylic acid | CCG-

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

OSI-027 is a potent mammalian target of rapamycin (mTOR) kinase inhibitor.Potent, ATP-competitive mTOR kinase inhibitor. Inhibits TORC1 (IC 50 = 22 nM) and TORC2 (IC 50 = 65 nM) mTor complexes. Greater than 100-fold selective for mTOR versus PI3K-alpha, P

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

Mecanismo de acción

Serine/threonine-protein kinase mTOR inhibitor

Nota

Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Propiedades del producto

• ALogP: 2

Nombres e identificadores

• Pubchem Sid: 504773227
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773227
• Sonrisas canónicas: COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N
• IUPAC Name: 4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
• InChIKey: JROFGZPOBKIAEW-UHFFFAOYSA-N
• INCHI: 1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)
• Isómeros SMILES: COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N
• Peso molecular: 406.45
• Reaxy-Rn: 25803339
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25803339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Anisoles Alkyl aryl ethers Substituted pyrroles N-substituted imidazoles Imidolactams 1,2,4-triazines Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Anisole - Phenol ether - Alkyl aryl ether - 1,2,4-triazine - Imidolactam - Benzenoid - Triazine - Substituted pyrrole - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO 18 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Peso molecular: 406.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 406.175 Da
• Monoisotopic Mass: 406.175 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 630.000
• 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