apratastat - Moligand™ , ADAM17 inhibitor, CAS No.287405-51-0, ADAM17 inhibitor

CAS: 287405-51-0 Cat. No.: A607690 Fórmula: C17H22N2O6S2 Peso molecular: 414.5 Número EC: 110-465-2 PubChem CID: 11452716
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.
Synonyms
AKOS040741161 | (S)-4-[4-(4-Hydroxy-but-2-ynyloxy)-benzenesulfonyl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid hydroxyamide | SMR004701369 | TMI005 | TMI-005 | Apratastat (USAN/INN) | compound 5h [PMID: 16426848] | Apratastat, >=98% (HPLC) | D08859 | D
Storage
Room temperature
★
Size
Alemania (EU)
USA*
Price
Qty
5mg
A607690-5mg
Fabricado bajo pedido · 8–12 semanas

744,43€

1.158,34€
Guardar 413,91 € (35.73%)
25mg
A607690-25mg
Fabricado bajo pedido · 8–12 semanas

1.488,09€

1.737,13€
Guardar 249,04 € (14.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Sinónimos
AKOS040741161 | (S)-4-[4-(4-Hydroxy-but-2-ynyloxy)-benzenesulfonyl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid hydroxyamide | SMR004701369 | TMI005 | TMI-005 | Apratastat (USAN/INN) | compound 5h [PMID: 16426848] | Apratastat, >=98% (HPLC) | D08859 | D
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
ADAM17 inhibitor
Propiedades del producto
ALogP0.3
Nombres e identificadores
Sonrisas canónicasCC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C
IUPAC Name(3S)-N-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide
InChIKeyMAVDNGWEBZTACC-HNNXBMFYSA-N
INCHI1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
Isómeros SMILES CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C
PubChem CID 11452716
Peso molecular 414.5

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
ClaseBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Alpha amino acids and derivatives  Benzenesulfonyl compounds  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Thiomorpholines  Organosulfonamides  Sulfonyls  Hydroxamic acids  Azacyclic compounds  Dialkylthioethers  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organonitrogen compounds  Organopnictogen compounds  Primary alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Organosulfonic acid amide - 1,4-thiazinane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Hydroxamic acid - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MMP1 Tchem Interstitial collagenase (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP13 Tchem Collagenase 3 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP9 Tchem Matrix metalloproteinase-9 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADAM17 Tchem Disintegrin and metalloproteinase domain-containing protein 17 (10 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADAM10 Tchem Disintegrin and metalloproteinase domain-containing protein 10 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADAM9 Tchem Disintegrin and metalloproteinase domain-containing protein 9 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP3 Tchem Stromelysin-1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADAM9 Tchem ADAM9 (81 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mmp13 Matrix metalloproteinase 13 (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adam17 ADAM17 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp9 Matrix metalloproteinase 9 (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 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
Peso molecular414.500 g/mol
XLogP30.300
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass414.092 Da
Monoisotopic Mass414.092 Da
Topological Polar Surface Area150.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity683.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
Reseñas

Reseñas de cliente

Preguntas frecuentes

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 287405-51-0, the molecular formula is C17H22N2O6S2, and the molecular weight is 414.5 g/mol. InChIKey MAVDNGWEBZTACC-HNNXBMFYSA-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.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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