AN-9 - ≥95% , CAS No.122110-53-6

CAS: 122110-53-6 Cat. No.: A338044 Fórmula: C₁₀H₁₈O₄ Peso molecular: 202.25 Beilstein Registry Number: 4861411

GRADE & PURITY ≥95%

Synonyms

AN-9;Pivalyloxymethyl butyrate | butanoyloxymethyl 2,2-dimethylpropanoate | Pivalyloxymethyl butyrate | Butanoic acid, (2,2-dimethyl-1-oxopropoxy)methyl ester | AN-9 | BRN 4861411 | Pivanex | UNII-55VNK5440P | pivaloyloxymethylbutyrate | AN 9 | F72881 | A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

AN-9 is an HDAC inhibitor with antimetastic and antiangiogenic properties. AN-9 is theorized to reduce vascularization and the expression of bFGF and HIF-1

Specifications

Sinónimos

AN-9;Pivalyloxymethyl butyrate | butanoyloxymethyl 2,2-dimethylpropanoate | Pivalyloxymethyl butyrate | Butanoic acid, (2,2-dimethyl-1-oxopropoxy)methyl ester | AN-9 | BRN 4861411 | Pivanex | UNII-55VNK5440P | pivaloyloxymethylbutyrate | AN 9 | F72881 | A

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

Pivanex (AN-9), a derivative of Butyric acid, is an orally active HDAC inhibitor. Pivanex down-regulates bcr-abl protein and enhances apoptosis. Pivanex has antimetastic and antiangiogenic properties.

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.

Tipo de ação

INHIBITOR

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488183405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183405
• Sorrisos canónicos: CCCC(=O)OCOC(=O)C(C)(C)C
• IUPAC Name: butanoyloxymethyl 2,2-dimethylpropanoate
• InChIKey: GYKLFBYWXZYSOW-UHFFFAOYSA-N
• INCHI: 1S/C10H18O4/c1-5-6-8(11)13-7-14-9(12)10(2,3)4/h5-7H2,1-4H3
• SMILES isoméricas: CCCC(=O)OCOC(=O)C(C)(C)C
• Peso molecular: 202.25
• Beilstein: 4861411
• Reaxy-Rn: 4861411
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4861411&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Acylals Dicarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acylal - Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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 (humanos)

HL-60 (67320 Activities)

Explore this target

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

HT-29 (80576 Activities)

Explore this target

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

MES-SA (905 Activities)

Explore this target

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

PC-3 (62116 Activities)

Explore this target

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

MIA PaCa-2 (5949 Activities)

Explore this target

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

Alvos associados (não humanos)

B16 (5829 Activities)

Explore this target

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

WEHI (120 Activities)

Explore this target

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

3LLD122 (4 Activities)

Explore this target

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

B16-F10 (4610 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (≥10 mg/ml).
• Índice de refração: n20D1.43 (Predicted)
• Ponto de ebulição (°C): 88-93° C at 2 mmHg
• Ponto de fusão (°C): -53.20° C (Predicted)
• Peso molecular: 202.250 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 203.000
• 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