SS-208 - Moligand™,≥98% , CAS No.2245942-72-5

CAS: 2245942-72-5 Cat. No.: S647126 Fórmula: C13H11Cl2N3O4 Peso molecular: 344.15 PubChem CID: 135348858
Disponível para encomenda
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. ≥98%
Synonyms
2245942-72-5 | EX-A5081 | MS-25266 | GTPL10490 | compound 7b [PMID: 31414801] | 3-Isoxazolecarboxamide, 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy- | 5-(2-(3,4-Dichlorobenzamido)ethyl)-N-hydroxyisoxazole-3-carboxamide | SCHEMBL20524113 | 5-[2-[(3,4
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Alemanha (EU)
USA*
Price
Qty
1mg
S647126-1mg
Sob encomenda · 8–12 semanas
40,70€
5mg
S647126-5mg
Sob encomenda · 8–12 semanas
92,76€
10mg
S647126-10mg
Sob encomenda · 8–12 semanas
147,43€
25mg
S647126-25mg
Sob encomenda · 8–12 semanas
256,76€
50mg
S647126-50mg
Sob encomenda · 8–12 semanas
368,70€
100mg
S647126-100mg
Sob encomenda · 8–12 semanas
506,67€
Enter a quantity for the sizes you want to add.
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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.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
2245942-72-5 | EX-A5081 | MS-25266 | GTPL10490 | compound 7b [PMID: 31414801] | 3-Isoxazolecarboxamide, 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy- | 5-(2-(3,4-Dichlorobenzamido)ethyl)-N-hydroxyisoxazole-3-carboxamide | SCHEMBL20524113 | 5-[2-[(3,4
Especificações e pureza
Moligand™,≥98%
Mecanismos bioquímicos e fisiológicos
SS-208 is a selective HDAC6 inhibitor, with an IC 50 of 12 nM. SS-208 possesses anti-tumor activity in melanoma.
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Grau
Moligand™
Tipo de ação
INHIBITOR
Pureza
≥98%
Nomes e identificadores
Sorrisos canónicosC1=CC(=C(C=C1C(=O)NCCC2=CC(=NO2)C(=O)NO)Cl)Cl
IUPAC Name5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
InChIKeyJFGOILLZIAIYGA-UHFFFAOYSA-N
INCHI1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
SMILES isoméricas C1=CC(=C(C=C1C(=O)NCCC2=CC(=NO2)C(=O)NO)Cl)Cl
CAS alternativo 2245942-72-5
PubChem CID 135348858
Peso molecular 344.15

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
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct Parent4-halobenzoic acids and derivatives
Alternative Parents 3-halobenzoic acids and derivatives  Benzamides  Dichlorobenzenes  Benzoyl derivatives  Aryl chlorides  Isoxazoles  Heteroaromatic compounds  Secondary carboxylic acid amides  Hydroxamic acids  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Isoxazole - Azole - Secondary carboxylic acid amide - Hydroxamic acid - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
HDAC6 Tclin Histone deacetylase 6 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC8 Tclin Histone deacetylase 8 (4516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC4 Tclin Histone deacetylase 4 (2328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC9 Tclin Histone deacetylase 9 (708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC11 Tclin Histone deacetylase 11 (967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC7 Tclin Histone deacetylase 7 (1047 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
5637 (630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Hdac1 Histone deacetylase 1 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac5 Histone deacetylase 5 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HD1 Histone deacetylase (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeDMSO : 125 mg/mL (363.21 mM; Need ultrasonic)
Peso molecular344.150 g/mol
XLogP32.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass343.013 Da
Monoisotopic Mass343.013 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count22
Formal Charge0
Complexity413.000
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 soluções
Revisões

Avaliações dos Clientes

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