AZD-9291 mesylate - ≥99% , Epidermal growth factor receptor erbB1 inhibitor, CAS No.1421373-66-1, Epidermal growth factor receptor erbB1 inhibitor

CAS: 1421373-66-1 Cat. No.: A302850 Formula: C₂₉H₃₇N₇O₅S Peso molecolare: 595.71 Numero EC: 806-779-0

GRADE & PURITY ≥99%

Synonyms

N-[2-[[2-(Dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-2-propenamide methanesulfonate | OSIMERTINIB MESYLATE [ORANGE BOOK] | S5078 | N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-met

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

N-[2-[[2-(Dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-2-propenamide methanesulfonate | OSIMERTINIB MESYLATE [ORANGE BOOK] | S5078 | N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-met

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Epidermal growth factor receptor erbB1 inhibitor

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488202382

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202382

Sorrisi canonici

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC.CS(=O)(=O)O

IUPAC Name

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methanesulfonic acid

InChIKey

FUKSNUHSJBTCFJ-UHFFFAOYSA-N

INCHI

1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)

Isomeri SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC.CS(=O)(=O)O

CAS alternativo

1421373-66-1,2070014-82-1

Termini MeSH

AZD-9291;AZD-9291 mesylate;AZD9291;AZD9291 mesylate;mereletinib;mereletinib mesilate;mereletinib mesylate;N-(2-((2-(dimethylamino)ethyl)methylamino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl)amino)phenyl)-2-propenamide;N-(2-((2-(dimethylamino

Peso molecolare

595.71

Reaxy-Rn

23334374

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23334374&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Aminophenyl ethers Methoxyanilines Indoles Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives N-methylpyrroles Heteroaromatic compounds Trialkylamines Secondary amines Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: N-alkylindole - Indole - Methoxyaniline - Aminophenyl ether - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - N-methylpyrrole - Benzenoid - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Ether - Carboximidic acid derivative - Organic 1,3-dipolar compound - Carboximidic acid - Azacycle - Secondary amine - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

Proprietà chimiche e fisiche

• Solubilità: DMSO:5 mg/mL (8.39 mM)
• Sensibilità: light sensitive
• Peso molecolare: 595.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 595.258 Da
• Monoisotopic Mass: 595.258 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 845.000
• 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: 2

XLogP3