KW-2478 - ≥98% , CAS No.819812-04-9

CAS: 819812-04-9 Cat. No.: K129723 Formule: C₃₀H₄₂N₂O₉ Poids moléculaire: 574.66

GRADE & PURITY ≥98%

Synonyms

BS-18163 | EX-A035 | SCHEMBL440470 | Asparagine, L- (8CI) | KW2478 | KW-2478 | 2-(2-ethyl-3,5-dihydroxy-6-(3-methoxy-4-(2-morpholinoethoxy)benzoyl)phenyl)-N,N-bis(2-methoxyethyl)acetamide | VFUXSYAXEKYYMB-UHFFFAOYSA-N | 819812-04-9 (free base) | ET3 | 2-[

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

BS-18163 | EX-A035 | SCHEMBL440470 | Asparagine, L- (8CI) | KW2478 | KW-2478 | 2-(2-ethyl-3,5-dihydroxy-6-(3-methoxy-4-(2-morpholinoethoxy)benzoyl)phenyl)-N,N-bis(2-methoxyethyl)acetamide | VFUXSYAXEKYYMB-UHFFFAOYSA-N | 819812-04-9 (free base) | ET3 | 2-[

Spécifications et pureté

≥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.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504769367

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769367

Sourires canoniques

CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)OCCN3CCOCC3)OC)CC(=O)N(CCOC)CCOC

IUPAC Name

2-[2-ethyl-3,5-dihydroxy-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)benzoyl]phenyl]-N,N-bis(2-methoxyethyl)acetamide

InChIKey

VFUXSYAXEKYYMB-UHFFFAOYSA-N

INCHI

1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3

Isomères SMILES

CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)OCCN3CCOCC3)OC)CC(=O)N(CCOC)CCOC

Poids moléculaire

574.66

Reaxy-Rn

11823064

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11823064&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Phenylacetamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Resorcinols Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Morpholines Tertiary carboxylic acid amides Vinylogous acids Amino acids and derivatives Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenylacetamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Resorcinol - Methoxybenzene - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxazinane - Morpholine - Tertiary carboxylic acid amide - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Ketone - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: ≥100 mg/mL in DMSO
• Poids moléculaire: 574.700 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 574.289 Da
• Monoisotopic Mass: 574.289 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 773.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% 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 819812-04-9, the molecular formula is C30H42N2O9, and the molecular weight is 574.66 g/mol. InChIKey VFUXSYAXEKYYMB-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.