TES-991 - ≥99% , CAS No.1883602-20-7

CAS: 1883602-20-7 Cat. No.: T646590 Fórmula: C17H11N7OS2 Peso molecular: 393.45 PubChem CID: 137142884
Disponible para pedir
CALIDAD & PUREZA ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Talla
Alemania (EU)
USA*
Precio
Cantidad
5mg
T646590-5mg
Fabricado bajo pedido · 8–12 semanas
955,29€
10mg
T646590-10mg
Fabricado bajo pedido · 8–12 semanas
1.475,94€
25mg
T646590-25mg
Fabricado bajo pedido · 8–12 semanas
3.037,87€
50mg
T646590-50mg
Fabricado bajo pedido · 8–12 semanas
4.773,35€
100mg
T646590-100mg
Fabricado bajo pedido · 8–12 semanas
6.855,92€
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Por qué esta calidad

≥99% 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.

Descripción general

TES-991 is a potent and selective human α‑Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD) inhibitor, with an IC 50 of 3 nM.

In Vitro

TES-991 (compounds 21) is able to significantly increase intracellular NAD + levels, providing further proof of their mechanism of action. TES-991 shows an inhibition of cytochrome P450 2C19, suggesting a possible involvement of the 2H-tetrazole motif in this interaction. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

After the intravenous administration of 0.5 mg/kg, TES-991 (compound 21) shows low blood clearance, with low volumes of distribution and halflives (t 1/2 ) of about 4.0 and 5.0 h, respectively, although after oral administration at 5 mg/kg, the blood concentrations of TES-991 is quantifiable for up to 8 h. A moderate systemic exposure is observed for the 2H-tetrazole analogue, TES-991, a good systemic exposure is recorded for the free acid . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 3 nM (hACMSD)

Especificaciones

Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
TES-991 is a potent and selective human α‑Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD) inhibitor, with an IC 50 of 3 nM.
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
≥99%
Nombres e identificadores
Sonrisas canónicas
C1=CC(=CC(=C1)C2=NNN=N2)CSC3=NC(=C(C(=O)N3)C#N)C4=CC=CS4
IUPAC Name
6-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]-4-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
InChIKey
VCDQAPTULMMFKX-UHFFFAOYSA-N
INCHI
1S/C17H11N7OS2/c18-8-12-14(13-5-2-6-26-13)19-17(20-16(12)25)27-9-10-3-1-4-11(7-10)15-21-23-24-22-15/h1-7H,9H2,(H,19,20,25)(H,21,22,23,24)
Isómeros SMILES
C1=CC(=CC(=C1)C2=NNN=N2)CSC3=NC(=C(C(=O)N3)C#N)C4=CC=CS4
PubChem CID
137142884
Peso molecular
393.45

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.

Ver ficha técnica →

🔬 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
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassTetrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenyltetrazoles and derivatives
Alternative Parents Pyrimidones  Alkylarylthioethers  Hydropyrimidines  Benzene and substituted derivatives  Thiophenes  Heteroaromatic compounds  Lactams  Sulfenyl compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyltetrazole - Aryl thioether - Alkylarylthioether - Pyrimidone - Benzenoid - Pyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACMSD Tchem 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACMSD Tchem 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (133 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kidney (1278 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
SolubilidadDMSO : 62.5 mg/mL (158.85 mM; Need ultrasonic)
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Preguntas frecuentes

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1883602-20-7, the molecular formula is C17H11N7OS2, and the molecular weight is 393.45 g/mol. InChIKey VCDQAPTULMMFKX-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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