Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
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Why this grade
Moligand™, ≥97% 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.
Descripción general
SIRT-IN-2 (compound 31) is one of the most potent truncated pan SIRT1/ 2/3 inhibitor, the IC 50 values are 4, 4, 7 μM, respectively. SIRT-IN-2 (SIRT1/2/3 pan inhibitor) binds identically in the catalytic active site (RMS=0.29 Å), occupying the nicotinamide C-pocket and acetyl lysine substrate channel.
Specifications
Especificaciones y pureza
Moligand™, ≥97%
Mecanismos bioquímicos y fisiológicos
SIRT-IN-2 is a potent inhibitor of SIRT1/2/3 , with IC 50 s of 4, 4, 7 μM, respectively.
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
≥97%
Nombres e identificadores
| Sonrisas canónicas | CS(=O)(=O)NCCC1CCN(CC1)C2=NC=NC3=C2SC(=C3)C(=O)N |
|---|---|
| IUPAC Name | 4-[4-[2-(methanesulfonamido)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide |
| InChIKey | BKOWIHMCGFRARN-UHFFFAOYSA-N |
| INCHI | 1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21) |
| Isómeros SMILES | CS(=O)(=O)NCCC1CCN(CC1)C2=NC=NC3=C2SC(=C3)C(=O)N |
| PubChem CID | 71304815 |
| Peso molecular | 383.49 |
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 Organoheterocyclic compounds
- Clase Thienopyrimidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Pyrimidinecarboxamides Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Dialkylarylamines Aminopyrimidines and derivatives Piperidines Organosulfonamides Imidolactams Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrimidinecarboxamide - Thienopyrimidine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Aminopyrimidine - Piperidine - Pyrimidine - Organic sulfonic acid amide - Organosulfonic acid amide - Imidolactam - Aminosulfonyl compound - Thiophene - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Objetivos asociados (humanos)
SIRT3 Tchem NAD-dependent protein deacetylase sirtuin-3, mitochondrial (1 Activities)
SIRT2 Tchem NAD-dependent protein deacetylase sirtuin-2 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
SIRT1 Tchem NAD-dependent protein deacetylase sirtuin-1 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 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 : 62.5 mg/mL (162.98 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 383.500 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 383.109 Da |
| Monoisotopic Mass | 383.109 Da |
| Topological Polar Surface Area | 155.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 574.000 |
| 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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