SMI-16a - 10mM in DMSO , CAS No.587852-28-6

CAS: 587852-28-6 Cat. No.: S424917 Fórmula: C13H13NO3S Peso molecular: 263.31 PubChem CID: 25102785
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
2,​4-​Thiazolidinedione,5-​[(4-​propoxyphenyl)​methylene]​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemania (EU)
USA*
Price
Qty
1ml
S424917-1ml
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1 Disponible

51,11€

60,65€
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Information

SMI-16a is a selectivePimkinase inhibitor with IC50 values of 150 nM and 20 nM for Pim1 and Pim2 respectively.

Targets

Pim2 ; Pim1 20 nM; 150 nM

Specifications

Sinónimos
2,​4-​Thiazolidinedione,5-​[(4-​propoxyphenyl)​methylene]​-
Especificaciones y pureza
10mM in DMSO
Mecanismos bioquímicos y fisiológicos
SMI-16a is a selective Pim kinase inhibitor with IC50 values of 150 nM and 20 nM for Pim1 and Pim2 respectively.
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
2.798
Recuento HBD
1
Enlace rotable
4
Nombres e identificadores
Pubchem Sid
Sonrisas canónicas
CCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)S2
IUPAC Name
(5E)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChIKey
GBWOSXZUTXXXQF-DHZHZOJOSA-N
INCHI
1S/C13H13NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h3-6,8H,2,7H2,1H3,(H,14,15,16)/b11-8+
Isómeros SMILES
CCCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)S2
PubChem CID
25102785
Peso molecular
263.31

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasePhenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Thiazolidinediones  Alkyl aryl ethers  Dicarboximides  Thiocarbamic acid derivatives  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Monocyclic benzene moiety - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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
DMSO (mg/ml) Solubilidad máxima53
DMSO (mM) Solubilidad máxima201.28365804565
Agua (mg/ml) Solubilidad máxima<1
Peso molecular263.310 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass263.062 Da
Monoisotopic Mass263.062 Da
Topological Polar Surface Area80.700 Ų
Heavy Atom Count18
Formal Charge0
Complexity359.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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