AN-9 - ≥95% , CAS No.122110-53-6

CAS: 122110-53-6 Cat. No.: A338044 Summenformel: C₁₀H₁₈O₄ Molekulargewicht: 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

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

AN-9 ist ein HDAC-Inhibitor mit antimetastischen und antiangiogenen Eigenschaften. AN-9 soll die Vaskularisierung und die Expression von bFGF und HIF-1 verringern

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

Pivanex (AN-9), ein Derivat der Buttersäure, ist ein oral wirksamer HDAC-Inhibitor. Pivanex regelt das bcr-abl-Protein herunter und fördert die Apoptose. Pivanex hat antimetastische und antiangiogene Eigenschaften.

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488183405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183405
• Kanonisches Lächeln: 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
• Isomere SMILES: CCCC(=O)OCOC(=O)C(C)(C)C
• Molekulargewicht: 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
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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PC-3 (62116 Activities)

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WEHI (120 Activities)

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3LLD122 (4 Activities)

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B16-F10 (4610 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO (≥10 mg/ml).
• Brechungsindex: n20D1.43 (Predicted)
• Siedepunkt (°C): 88-93° C at 2 mmHg
• Schmelzpunkt (°C): -53.20° C (Predicted)
• Molekulargewicht: 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