AZ505 - Moligand™,≥98% , Inhibitor of SET and MYND domain containing 2, CAS No.1035227-43-0, Inhibitor of SET and MYND domain containing 2

CAS: 1035227-43-0 Cat. No.: A607844 Formule: C29H38Cl2N4O4 Poids moléculaire: 577.54 PubChem CID: 24961094
DISPONIBLE À COMMANDE
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
AZ 505 | AZ-505 | N-Cyclohexyl-3-(3,4-dichlorophenethylamino)-N-(2-(2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)ethyl)propanamide
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Allemagne (EU)
USA*
Price
Qty
1mg
A607844-1mg
Sur commande · 8–12 semaines
34,62€
5mg
A607844-5mg
Sur commande · 8–12 semaines
78,01€
25mg
A607844-25mg
Sur commande · 8–12 semaines
312,30€
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.

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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.

Vue d’ensemble

AZ505 is a potent and selective SMYD2 inhibitor with an IC50 of 0.12 μM.

Specifications

Synonymes
AZ 505 | AZ-505 | N-Cyclohexyl-3-(3,4-dichlorophenethylamino)-N-(2-(2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)ethyl)propanamide
Spécifications et pureté
Moligand™,≥98%
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Type d'action
INHIBITOR
Mécanisme d'action
Inhibitor of SET and MYND domain containing 2
Pureté
≥98%
Noms et identifiants
Sourires canoniquesC1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl
IUPAC NameN-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide
InChIKeyLIBVHXXKHSODII-UHFFFAOYSA-N
INCHI1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)
Isomères SMILES C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl
PubChem CID 24961094
Poids moléculaire 577.54

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
ClasseBenzoxazines
SubclassBenzoxazinones
Intermediate Tree Nodes Not available
Direct ParentBenzoxazinones
Alternative Parents Beta amino acids and derivatives  Benzomorpholines  Phenethylamines  Dichlorobenzenes  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  Aralkylamines  Aryl chlorides  Tertiary carboxylic acid amides  Secondary carboxylic acid amides  Lactams  Oxacyclic compounds  Azacyclic compounds  Dialkylamines  Hydrocarbon derivatives  Organochlorides  Organic oxides  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazinone - Beta amino acid or derivatives - Benzomorpholine - Phenethylamine - 1,2-dichlorobenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Ether - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
SMYD2 Tchem N-lysine methyltransferase SMYD2 (9 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMYD2 Tchem N-lysine methyltransferase SMYD2 (395 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMYD3 Tchem Histone-lysine N-methyltransferase SMYD3 (260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire577.500 g/mol
XLogP34.400
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass576.227 Da
Monoisotopic Mass576.227 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count39
Formal Charge0
Complexity772.000
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
Calculateurs de solution
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