Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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Why this grade
Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads 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.
Specifications
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
HSP70-IN-1 is a heat shock protein ( HSP ) inhibitor; inhibits the growth of Kasumi-1 cells with an IC 50 of 2.3 μM.
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.
Grado
Moligand™
Tipo de acción
INHIBITOR
Pureza
≥98%
Nombres e identificadores
| Sonrisas canónicas | CN1CCN(CC1)C2=NC=C(C(=N2)OCC3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)CN |
|---|---|
| IUPAC Name | 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide |
| InChIKey | LBJCUDZMNPAWPX-UHFFFAOYSA-N |
| INCHI | 1S/C24H28N6O2S/c1-29-10-12-30(13-11-29)24-26-16-21(23(28-24)32-17-18-6-3-2-4-7-18)33-20-9-5-8-19(14-20)27-22(31)15-25/h2-9,14,16H,10-13,15,17,25H2,1H3,(H,27,31) |
| Isómeros SMILES | CN1CCN(CC1)C2=NC=C(C(=N2)OCC3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)CN |
| PubChem CID | 66973893 |
| Peso molecular | 464.58 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic acids and derivatives
- Clase Carboxylic acids and derivatives
- Subclass Amino acids, peptides, and analogues
- Level5 Amino acids and derivatives
- Level6 Alpha amino acids and derivatives
- Level7 Alpha amino acid amides
- Level6 Alpha amino acids and derivatives
- Level5 Amino acids and derivatives
- Subclass Amino acids, peptides, and analogues
- Clase Carboxylic acids and derivatives
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | N-arylpiperazines Diarylthioethers Anilides Thiophenol ethers N-arylamides Dialkylarylamines Alkyl aryl ethers N-methylpiperazines Aminopyrimidines and derivatives Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - N-arylpiperazine - Diarylthioether - Anilide - Aryl thioether - Thiophenol ether - N-arylamide - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - N-methylpiperazine - N-alkylpiperazine - Pyrimidine - Monocyclic benzene moiety - Piperazine - 1,4-diazinane - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Thioether - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Primary amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Objetivos asociados (humanos)
HSP90AB1 Tchem Heat shock protein HSP 90-beta (1689 Activities)
FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)
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SK-BR-3 (5175 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Kasumi 1 (420 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HSP90AA1 Tchem Heat shock protein HSP90 (3606 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay 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
| Solubilidad | DMSO : 50 mg/mL (107.62 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 464.600 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 464.199 Da |
| Monoisotopic Mass | 464.199 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 600.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Calculadoras de soluciones
Reseñas
Reseñas de cliente
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