M 50054 - ≥95% , CAS No.54135-60-3

CAS: 54135-60-3 Cat. No.: M276216 분자식: C₁₃H₁₆O₄ 분자량: 236.26

GRADE & PURITY ≥95%

Synonyms

SR-01000027601 | AKOS001027108 | DTXSID50202476 | NP899EA5D8 | 2,2'-METHYLENEBIS(1,3-CYCLOHEXANEDIONE) | 2,2'-methylenedicyclohexane-1,3-dione | CHEBI:108604 | Enamine_000755 | BRD-K00676343-001-01-6 | HMS1396C07 | UNII-NP899EA5D8 | MFCD00192291 | SCHEMBL

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Store at +4°C. The product can be stored for up to 12 months.

Specifications

동의어

SR-01000027601 | AKOS001027108 | DTXSID50202476 | NP899EA5D8 | 2,2'-METHYLENEBIS(1,3-CYCLOHEXANEDIONE) | 2,2'-methylenedicyclohexane-1,3-dione | CHEBI:108604 | Enamine_000755 | BRD-K00676343-001-01-6 | HMS1396C07 | UNII-NP899EA5D8 | MFCD00192291 | SCHEMBL

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

Cell-permeable apoptosis inhibitor. Inhibits caspase-3 activation and DNA fragmentation. Shows anti-alopecia effects and impedes neuroregeneration in vivo.

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

INHIBITOR

참고

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.

순수함

≥95%

이름과 식별자

정식 스마일

C1CC(=O)C(C(=O)C1)CC2C(=O)CCCC2=O

IUPAC Name

2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione

InChIKey

ILUMEPMGPCKGHH-UHFFFAOYSA-N

INCHI

1S/C13H16O4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h8-9H,1-7H2

이성체 SMILES

C1CC(=O)C(C(=O)C1)CC2C(=O)CCCC2=O

분자량

236.26

Reaxy-Rn

1990578

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 1,3-dicarbonyl compounds
          • Level6 Beta-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: 1,3-dicarbonyl compounds
• Direct Parent: Beta-diketones
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: 1,3-diketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
• 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

화학 및 물리적 특성

• 용해성: Soluble in ethanol and in DMSO
• 분자량: 236.260 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 236.105 Da
• Monoisotopic Mass: 236.105 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 315.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 54135-60-3, the molecular formula is C13H16O4, and the molecular weight is 236.26 g/mol. InChIKey ILUMEPMGPCKGHH-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.