UM-164 - 10mM in DMSO , CAS No.903564-48-7

CAS: 903564-48-7 Cat. No.: U426842 Fórmula: C30H31F3N8O3S Peso molecular: 640.68 PubChem CID: 11714353
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CALIDAD & PUREZA 10mM in DMSO
Synonyms
5-​Thiazolecarboxamide,2-​[[6-​[4-​(2-​hydroxyethyl)​-​1-​piperazinyl]​-​2-​methyl-​4-​pyrimidinyl]​amino]​-​N-​[2-​methyl-​5-​[[3-​(trifluoromethyl)​benzoyl]​amino]​phenyl]​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Talla
Alemania (EU)
USA*
Precio
Cantidad
1ml
U426842-1ml
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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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Prueba documental

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

Descripción general

Information

UM-164 is a highly potent, dualc-Src/p38inhibitor ofc-Srcwith a binding constant Kd of 2.7 nM for c-Src and inhibits both p38α and p38β.

Targets

p38α ; p38β ; c-Src (Cell-free assay) ; 2.7 nM(Kd)

In vitro

UM-164 binds the inactive kinase conformation of c-Src. UM-164 alters the cell localization of c-Src in TNBC (anti-triple-negative breast cancer) cells. It has potent antiproliferative activity (average GI50 = 160 nmol/L) in all TNBC cell lines tested. UM-164 is a potent inhibitor of p38α and p38β. p38 MAPK phosphorylation is completely absent in SUM 149 cells treated with 50 nmol/L of UM-164. UM-164 can suppress both cell motility and invasion of MDA-MB 231 and SUM 149 cell lines with an IC50 = 50 nmol/L. FAK phosphorylation is inhibited by UM-164 in SUM 149 cells. UM-164 also efficiently reduces activation of EGFR (at both Tyr-845 and Tyr-1068), AKT, and ERK1/2, all of which are not direct targets of UM-164..

In vivo

In xenograft models of TNBC (anti-triple-negative breast cancer), UM-164 results in a significant decrease of tumor growth compared with controls, with limited in vivo toxicity.

Cell Research(from reference)

Cell lines:MDA-MB 468 cells 

Concentrations:5 μM 

Incubation Time:4 h 

Especificaciones

Sinónimos
5-​Thiazolecarboxamide,2-​[[6-​[4-​(2-​hydroxyethyl)​-​1-​piperazinyl]​-​2-​methyl-​4-​pyrimidinyl]​amino]​-​N-​[2-​methyl-​5-​[[3-​(trifluoromethyl)​benzoyl]​amino]​phenyl]​-
Especificaciones y pureza
10mM in DMSO
Mecanismos bioquímicos y fisiológicos
UM-164 is a highly potent, dual c-Src/p38inhibitor of c-Src with a binding constant Kd of 2.7 nM for c-Src and inhibits both p38α and p38β.
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.
Propiedades del producto
ALogP
4.501
Recuento HBD
4
Enlace rotable
10
Nombres e identificadores
Pubchem Sid
Sonrisas canónicas
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CN=C(S3)NC4=CC(=NC(=N4)C)N5CCN(CC5)CCO
IUPAC Name
2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
InChIKey
ANEBQUSWQAQFQB-UHFFFAOYSA-N
INCHI
1S/C30H31F3N8O3S/c1-18-6-7-22(37-27(43)20-4-3-5-21(14-20)30(31,32)33)15-23(18)38-28(44)24-17-34-29(45-24)39-25-16-26(36-19(2)35-25)41-10-8-40(9-11-41)12-13-42/h3-7,14-17,42H,8-13H2,1-2H3,(H,37,43)(H,38,44)(H,34,35,36,39)
Isómeros SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CN=C(S3)NC4=CC(=NC(=N4)C)N5CCN(CC5)CCO
PubChem CID
11714353
Peso molecular
640.68

Documentación

📋 Hoja de datos de seguridad (SDS)

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

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

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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

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Datos avanzados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides
Direct ParentBenzanilides
Alternative Parents N-arylpiperazines  Trifluoromethylbenzenes  Benzamides  Diaminotoluenes  Thiazolecarboxamides  2-heteroaryl carboxamides  Benzoyl derivatives  Dialkylarylamines  2,5-disubstituted thiazoles  Aminopyrimidines and derivatives  N-alkylpiperazines  2-amino-1,3-thiazoles  Imidolactams  Heteroaromatic compounds  Amino acids and derivatives  Secondary carboxylic acid amides  Trialkylamines  1,2-aminoalcohols  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Alkyl fluorides  Primary alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzanilide - N-arylpiperazine - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Diaminotoluene - 2-heteroaryl carboxamide - Benzoyl - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Toluene - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrimidine - 1,3-thiazol-2-amine - Imidolactam - Thiazole - Azole - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Alkanolamine - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organic oxygen compound - Organonitrogen compound - Amine - Alkyl halide - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
DMSO (mg/ml) Solubilidad máxima100
DMSO (mM) Solubilidad máxima156.084160579384
Agua (mg/ml) Solubilidad máxima<1
Peso molecular640.700 g/mol
XLogP34.700
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass640.219 Da
Monoisotopic Mass640.219 Da
Topological Polar Surface Area164.000 Ų
Heavy Atom Count45
Formal Charge0
Complexity991.000
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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