HG-14-10-04 - 10mM in DMSO , CAS No.1356962-34-9

CAS: 1356962-34-9 Cat. No.: H421355 Peso molecular: 532.08

GRADE & PURITY 10mM in DMSO

Synonyms

A906951 | AC-36124 | HY-15801 | HG141004 | HG-14-10-04 | 5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2-pyrimidinamine | MS-29833 | 5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

HG-14-10-04 HG-14-10-04 is an inhibitor of ALK .

Targets

ALK

Specifications

Sinónimos

A906951 | AC-36124 | HY-15801 | HG141004 | HG-14-10-04 | 5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2-pyrimidinamine | MS-29833 | 5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperid

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

HG-14-10-04 is an inhibitor of ALK.

Condiciones de almacenamiento de almacenamiento

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

Propiedades del producto

• ALogP: 5.241
• hba_count: 3
• Recuento HBD: 2
• Enlace rotable: 6

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)C5=CNC6=CC=CC=C65)Cl)OC
• IUPAC Name: 5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
• InChIKey: HRYNCLKDKCPYBF-UHFFFAOYSA-N
• INCHI: 1S/C29H34ClN7O/c1-35-13-15-37(16-14-35)20-9-11-36(12-10-20)21-7-8-26(27(17-21)38-2)33-29-32-19-24(30)28(34-29)23-18-31-25-6-4-3-5-22(23)25/h3-8,17-20,31H,9-16H2,1-2H3,(H,32,33,34)
• Isómeros SMILES: CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)C5=CNC6=CC=CC=C65)Cl)OC
• Peso molecular: 532.08
• Reaxy-Rn: 22168451
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22168451&ln=

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: Indoles Methoxyanilines Aminophenyl ethers Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Aminopiperidines Halopyrimidines Aminopyrimidines and derivatives N-methylpiperazines Alkyl aryl ethers Aryl chlorides Substituted pyrroles Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Aminophenyl ether - Indole or derivatives - Indole - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Halopyrimidine - N-alkylpiperazine - N-methylpiperazine - Aminopyrimidine - 4-aminopiperidine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Ether - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen 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

• DMSO (mg/ml) Solubilidad máxima: 10
• DMSO (mM) Solubilidad máxima: 18.7941662907833
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 532.100 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 531.251 Da
• Monoisotopic Mass: 531.251 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 746.000
• 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