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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock dBET1 - 10mM in DMSO , CAS No.1799711-21-9
CALIDAD & PUREZA 10mM in DMSO
Synonyms
(6S)-4-(4-Chlorophenyl)-N-[4-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]butyl]-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide | SG5-025
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
Descripción general dBET1 is a hybrid molecule that combines (+)-JQ1 and thalidomide. It induces cereblon-dependent BET protein degradation in vitro (EC50: 430 nM) and induces apoptosis.
Especificaciones Sinónimos
(6S)-4-(4-Chlorophenyl)-N-[4-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]butyl]-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide | SG5-025
Especificaciones y pureza
10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Protected from light,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 Sonrisas canónicas
CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
IUPAC Name
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide
InChIKey
LKEGXJXRNBALBV-PMCHYTPCSA-N
INCHI
1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50)(H,43,48,51)/t25-,26?/m0/s1
Isómeros SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44254338&ln=
Datos avanzados Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Isoindoles and derivatives Subclass Isoindolines Intermediate Tree Nodes Isoindolones Direct Parent Phthalimides Alternative Parents Alpha amino acids and derivatives Thienodiazepines Isoindoles Phenol ethers Piperidinediones 1,4-diazepines Alkyl aryl ethers Chlorobenzenes Delta lactams N-substituted carboxylic acid imides Aryl chlorides N-unsubstituted carboxylic acid imides Thiophenes Heteroaromatic compounds Dicarboximides Triazoles Ketimines Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Phthalimide - Alpha-amino acid or derivatives - Thieno-para-diazepine - Isoindole - Phenol ether - Piperidinedione - Para-diazepine - Alkyl aryl ether - Piperidinone - Chlorobenzene - Delta-lactam - Halobenzene - Benzenoid - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Piperidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Carboxylic acid imide - Dicarboximide - 1,2,4-triazole - Thiophene - Carboxylic acid imide, n-unsubstituted - Ketimine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Imine - Organic nitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. 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.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Light sensitive Punto de fusión (°C) 186-187°C Peso molecular 785.300 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 12 Exact Mass 784.219 Da Monoisotopic Mass 784.219 Da Topological Polar Surface Area 222.000 Ų Heavy Atom Count 55 Formal Charge 0 Complexity 1550.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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