SM-164 - ≥98% , CAS No.957135-43-2

CAS: 957135-43-2 Cat. No.: S413709 Fórmula: C62H84N14O6 Peso molecular: 1121.42 PubChem CID: 17756618
Disponible para pedir
CALIDAD & PUREZA ≥98%
Synonyms
AC-35485 | SM164 | SM-164 | MS-31985 | SCHEMBL9973411 | (3S,6S,10aS)-N-[(S)-(1-{4-[4-(4-{4-[(S)-{[(3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocin-3-yl]formamido}(phenyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phenyl]butyl}
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Talla
USA
Alemania (EU)*
Precio
Cantidad
1mg
S413709-1mg
3 Disponible
—

77,90US$

116,90US$
Guardar 39,00 US$ (33.36%)
5mg
S413709-5mg
3 Disponible
—

288,90US$

433,90US$
Guardar 145,00 US$ (33.42%)
10mg
S413709-10mg
2 Disponible
—

404,90US$

607,90US$
Guardar 203,00 US$ (33.39%)
25mg
S413709-25mg
1 Disponible
—

810,90US$

1.216,90US$
Guardar 406,00 US$ (33.36%)
Enter a quantity for the sizes you want to add.
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Por qué esta calidad

≥98% 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 -20°C Envío Ice chest + Ice pads. 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
AC-35485 | SM164 | SM-164 | MS-31985 | SCHEMBL9973411 | (3S,6S,10aS)-N-[(S)-(1-{4-[4-(4-{4-[(S)-{[(3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocin-3-yl]formamido}(phenyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phenyl]butyl}
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
SM-164 is a potent, non-peptide, cell-permeable antagonist of XIAP that targets both the BIR2 and BIR3 domains with IC50 of 1.39 nM. SM-164 induces apoptosis and tumor regression.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Nombres e identificadores
Pubchem Sid
Sonrisas canónicas
CC(C(=O)NC1CCCCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)C(C7=CC=CC=C7)NC(=O)C8CCC9N8C(=O)C(CCCC9)NC(=O)C(C)NC)NC
IUPAC Name
(3S,6S,10aS)-N-[(S)-[1-[4-[4-[4-[4-[(S)-[[(3S,6S,10aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]butyl]phenyl]butyl]triazol-4-yl]-phenylmethyl]-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
InChIKey
LGYDZXNSSLRFJS-IOQQVAQYSA-N
INCHI
1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1
Isómeros SMILES
C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)[C@H](C7=CC=CC=C7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H](CCCC9)NC(=O)[C@H](C)NC)NC
PubChem CID
17756618
Peso molecular
1121.42

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
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct ParentCyclic peptides
Alternative Parents N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Phenylbutylamines  Alanine and derivatives  Pyrrolidinecarboxamides  Triazoles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Dialkylamines  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Cyclic alpha peptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Phenylbutylamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Benzenoid - 1,2,3-triazole - Pyrrolidine - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
XIAP Tchem E3 ubiquitin-protein ligase XIAP (11 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
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
XIAP Tchem Inhibitor of apoptosis protein 3 (3673 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IGROV-1 (47897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 (320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (984 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeFechaArticulo
B2427191B2427191Certificate of AnalysisJan 20, 2024 S413709
B2427192B2427192Certificate of AnalysisJan 20, 2024 S413709
B2427193B2427193Certificate of AnalysisJan 20, 2024 S413709
B2427194B2427194Certificate of AnalysisJan 20, 2024 S413709
B2427195B2427195Certificate of AnalysisJan 20, 2024 S413709
B2427196B2427196Certificate of AnalysisJan 20, 2024 S413709
B2427197B2427197Certificate of AnalysisJan 20, 2024 S413709
B2427198B2427198Certificate of AnalysisJan 20, 2024 S413709
Propiedades químicas y físicas
SolubilidadSolubility (25°C) In vitro DMSO: 3 mg/mL (2.67 mM); Water: Insoluble; Ethanol: Insoluble;
Peso molecular1121.400 g/mol
XLogP35.800
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Exact Mass1120.67 Da
Monoisotopic Mass1120.67 Da
Topological Polar Surface Area243.000 Ų
Heavy Atom Count82
Formal Charge0
Complexity1930.000
Isotope Atom Count0
Defined Atom Stereocenter Count10
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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