Toll-like receptor modulator - Moligand™,≥99% , CAS No.926927-42-6

CAS: 926927-42-6 Cat. No.: T647863 Peso molecular: 348.28 PubChem CID: 15953875
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
AKOS016004380 | SCHEMBL1104739 | NCGC00378688-01 | MS-25357 | (1E,4E)-ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate | A909948 | F83528 | ETHYL 2-AMINO-8-(PENTAFLUOROETHYL)-3H-1-BENZAZEPINE-4-CARBOXYLATE | DTXSID60580454 | Ethyl 2-amino
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
T647863-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
69,90US$
5mg
T647863-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
199,90US$
25mg
T647863-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
599,90US$
100mg
T647863-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.699,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C,Argon charged 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

Toll-like receptor modulator is a modulator of TLR7/8, which modulates immune function.

Specifications

Sinónimos
AKOS016004380 | SCHEMBL1104739 | NCGC00378688-01 | MS-25357 | (1E, 4E)-ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate | A909948 | F83528 | ETHYL 2-AMINO-8-(PENTAFLUOROETHYL)-3H-1-BENZAZEPINE-4-CARBOXYLATE | DTXSID60580454 | Ethyl 2-amino
Especificaciones y pureza
Moligand™, ≥99%
Condiciones de almacenamiento de almacenamiento
Protected from light, Store at -20°C, Argon charged
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
MODULATOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasCCOC(=O)C1=CC2=C(C=C(C=C2)C(C(F)(F)F)(F)F)N=C(C1)N
IUPAC Nameethyl 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylate
InChIKeyICZPANLPYRTVSF-UHFFFAOYSA-N
INCHI1S/C15H13F5N2O2/c1-2-24-13(23)9-5-8-3-4-10(14(16,17)15(18,19)20)7-11(8)22-12(21)6-9/h3-5,7H,2,6H2,1H3,(H2,21,22)
Isómeros SMILES CCOC(=O)C1=CC2=C(C=C(C=C2)C(C(F)(F)F)(F)F)N=C(C1)N
PubChem CID 15953875
Peso molecular 348.28

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
SuperclassOrganoheterocyclic compounds
ClaseBenzazepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzazepines
Alternative Parents Azepines  Imidolactams  Benzenoids  Enoate esters  Propargyl-type 1,3-dipolar organic compounds  Monocarboxylic acids and derivatives  Carboxamidines  Azacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Amines  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzazepine - Azepine - Imidolactam - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Amine - Organic oxide - Alkyl fluoride - Alkyl halide - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : ≥ 100 mg/mL (287.13 mM)
Peso molecular348.270 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass348.09 Da
Monoisotopic Mass348.09 Da
Topological Polar Surface Area64.700 Ų
Heavy Atom Count24
Formal Charge0
Complexity557.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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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