XMD 8-87 - 10mM in DMSO , CAS No.1234480-46-6

CAS: 1234480-46-6 Cat. No.: X421017 Fórmula: C24H27N7O2 Peso molecular: 445.52 PubChem CID: 53322923
Disponible para pedir
CALIDAD & PUREZA 10mM in DMSO
Synonyms
5,11-Dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Talla
Alemania (EU)
USA*
Precio
Cantidad
1ml
X421017-1ml
—
2 Disponible

201,23€

293,21€
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Por qué esta calidad

10mM in DMSO para flujos de trabajo cromatográficos y analíticos sensibles que requieren una interferencia mínima de la línea base.

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Almacenamiento y envío

Store at -80°C Envío Dry ice packs + Cold packs. Consulte el COA específico del lote para conocer las especificaciones exactas.

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Documentos de calidad

SDS, COA, ficha técnica y hoja de especificaciones disponibles para descargar. COA específico del lote accesible mediante búsqueda por número de lote.

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Prueba documental

Citado en 0 publicaciones revisadas por pares sobre cromatografía, síntesis orgánica y reacciones de acoplamiento cruzado.

Especificaciones

Sinónimos
5,11-Dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Especificaciones y pureza
10mM in DMSO
Mecanismos bioquímicos y fisiológicos
Potent Ack1/TNK2 inhibitor (IC50= 38 and 113 nM in Ba/F3 cell lines containing leukemia-associated D163E and R806Q mutations respectively). Blocks phosphorylation of TNK2 receptors containing solid-tumor type truncation mutations.
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.
Nombres e identificadores
Pubchem Sid
Sonrisas canónicas
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OC
IUPAC Name
2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
InChIKey
LGLHCXISMKHLIK-UHFFFAOYSA-N
INCHI
1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)
Isómeros SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OC
PubChem CID
53322923
Peso molecular
445.52

Documentación

📋 Hoja de datos de seguridad (SDS)

Documento completo sobre peligros, manipulación, almacenamiento y cumplimiento normativo.

<<<<<<< HEAD Descargar SDS → ======= Descargar SDS → >>>>>>> release248-p3

✅ Certificado de análisis (COA)

Datos de calidad específicos del lote. Introduzca su número de lote para obtener el COA exacto.

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📊 Ficha técnica

Resumen de referencia rápida de las especificaciones y aplicaciones del producto.

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🔬 Hoja de especificaciones

Atributos de calidad completos y criterios de aceptación para esta calidad.

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Datos avanzados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents Alkyldiarylamines  N-arylpiperazines  1,4-benzodiazepines  Pyrimidodiazepines  Methoxyanilines  Aminophenyl ethers  Phenoxy compounds  Methoxybenzenes  Anisoles  Dialkylarylamines  1,4-diazepines  Alkyl aryl ethers  N-methylpiperazines  Aminopyrimidines and derivatives  Imidolactams  Vinylogous amides  Heteroaromatic compounds  Lactams  Amino acids and derivatives  Secondary carboxylic acid amides  Trialkylamines  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpiperazine - Alkyldiarylamine - N-arylpiperazine - Pyrimidodiazepine - Benzodiazepine - 1,4-benzodiazepine - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Tertiary aliphatic/aromatic amine - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Para-diazepine - Alkyl aryl ether - Aminopyrimidine - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TNK2 Tclin Activated CDC42 kinase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KIT Tclin Stem cell growth factor receptor (10667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GAK Tchem Serine/threonine-protein kinase GAK (1150 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FRK Tchem Tyrosine-protein kinase FRK (2284 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNK2 Tclin Tyrosine kinase non-receptor protein 2 (2836 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTK6 Tchem Tyrosine-protein kinase BRK (2605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK7 Tchem Mitogen-activated protein kinase 7 (929 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNK1 Tchem Non-receptor tyrosine-protein kinase TNK1 (1335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MYLK4 Tchem Myosin light chain kinase family member 4 (320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DCLK2 Tchem Serine/threonine-protein kinase DCLK2 (1443 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DCLK1 Tchem Serine/threonine-protein kinase DCLK1 (1025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (6390 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular445.500 g/mol
XLogP32.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass445.223 Da
Monoisotopic Mass445.223 Da
Topological Polar Surface Area85.900 Ų
Heavy Atom Count33
Formal Charge0
Complexity673.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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