Landiolol-D4 , Beta-1 adrenergic receptor antagonist, CAS No.133242-30-5, Beta-1 adrenergic receptor antagonist

CAS: 133242-30-5 Cat. No.: L353989 Fórmula: C₂₅H₃₅D₄N₃O₈ Peso molecular: 513.62

Synonyms

LANDIOLOL [WHO-DD] | Landiolol | Benzenepropanoic acid, 4-((2S)-2-hydroxy-3-((2-((4-morpholinylcarbonyl)amino)ethyl)amino)propoxy)-, ((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester | [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-{(2S)-2-hydroxy-3-[{2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

LANDIOLOL [WHO-DD] | Landiolol | Benzenepropanoic acid, 4-((2S)-2-hydroxy-3-((2-((4-morpholinylcarbonyl)amino)ethyl)amino)propoxy)-, ((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester | [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-{(2S)-2-hydroxy-3-[{2

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

ANTAGONIST

Mecanismo de ação

Beta-1 adrenergic receptor antagonist

Propriedades do produto

• ALogP: 0.1

Nomes e identificadores

• Sorrisos canónicos: CC1(OCC(O1)COC(=O)CCC2=CC=C(C=C2)OCC(CNCCNC(=O)N3CCOCC3)O)C
• IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate
• InChIKey: WMDSZGFJQKSLLH-RBBKRZOGSA-N
• INCHI: 1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1
• SMILES isoméricas: CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C
• Peso molecular: 513.62
• Reaxy-Rn: 5858664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5858664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholine carboxylic acids and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Ketals Alkyl aryl ethers Fatty acid esters 1,3-dioxolanes Ureas Secondary alcohols 1,2-aminoalcohols Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Morpholine-4-carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ketal - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Meta-dioxolane - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Urea - Secondary alcohol - Carbonic acid derivative - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as morpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups (or derivative thereof).
• 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 509.600 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 509.274 Da
• Monoisotopic Mass: 509.274 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 666.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 133242-30-5, the molecular formula is C25H35D4N3O8, and the molecular weight is 513.62 g/mol. InChIKey WMDSZGFJQKSLLH-RBBKRZOGSA-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.