Acetomycin - ≥98% , CAS No.510-18-9

CAS: 510-18-9 Cat. No.: A275133 Molecular Weight: 214.22

GRADE & PURITY ≥98%

Synonyms

2(3H)-FURANONE, 3-ACETYL-5-(ACETYLOXY)DIHYDRO-3,4-DIMETHYL-, (3S,4S,5R)- | UNII-373B64IT09 | 3-acetyl-5-(acetyloxy)dihydro-3,4-dimethyl-2(3H)furanone | HB3734 | (2R,3S,4S)-4-Acetyl-3,4-dimethyl-5-oxotetrahydro-furan-2-yl acetate | 2(3H)-FURANONE, 3-ACETYL

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

2(3H)-FURANONE, 3-ACETYL-5-(ACETYLOXY)DIHYDRO-3, 4-DIMETHYL-, (3S, 4S, 5R)- | UNII-373B64IT09 | 3-acetyl-5-(acetyloxy)dihydro-3, 4-dimethyl-2(3H)furanone | HB3734 | (2R, 3S, 4S)-4-Acetyl-3, 4-dimethyl-5-oxotetrahydro-furan-2-yl acetate | 2(3H)-FURANONE, 3-ACETYL

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Antibiotic agent. Esterase substrate. Shows antifungal, antiprotozoal and antibacterial effects. Shows cytotoxic effects to cancer cell lines (IC 50 values are 7 and 10 μM for L1210 murine leukemia cells and HCT-8 human colon adenocarcinoma cells respecti

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1C(OC(=O)C1(C)C(=O)C)OC(=O)C
• IUPAC Name: [(2R,3S,4S)-4-acetyl-3,4-dimethyl-5-oxooxolan-2-yl] acetate
• InChIKey: OYMZTORLGBISLR-RHFNHBFPSA-N
• INCHI: 1S/C10H14O5/c1-5-8(14-7(3)12)15-9(13)10(5,4)6(2)11/h5,8H,1-4H3/t5-,8-,10+/m1/s1
• Isomeric SMILES: C[C@@H]1[C@@H](OC(=O)[C@]1(C)C(=O)C)OC(=O)C
• Molecular Weight: 214.22
• Reaxy-Rn: 174279
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=174279&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Acylals

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Acylals
• Alternative Parents: Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Ketones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Acylal - Gamma butyrolactone - Dicarboxylic acid or derivatives - Tetrahydrofuran - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acylals. These are diesters of geminal diols.
• 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

Associated Targets(Human)

HT-29 (80576 Activities)

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

MCF7 (126967 Activities)

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Associated Targets(non-human)

Mus musculus (284745 Activities)

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B16 (5829 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 214.210 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 214.084 Da
• Monoisotopic Mass: 214.084 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 322.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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