DiFMUP - ≥98% , CAS No.214491-43-7

CAS: 214491-43-7 Cat. No.: D286625 분자식: C₁₀H₇F₂O₆P 분자량: 292.13

GRADE & PURITY ≥98%

Synonyms

6,8-Difluoro-4-methyl-2-oxo-2H-chromen-7-yldihydrogenphosphate | SCHEMBL329996 | AKOS040751567 | [(6,8-difluoro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid | CHEBI:133848 | 6,8-Difluoro-4-methyl-7-(phosphonooxy)-2H-1-benzopyran-2-one | HY-120166 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate), a fluorinated analog of MUP, is a fluorescent synthetic substrate for continuous assessment of phosphatase activity. DiFMUP excitation/emission maxima are 358/450nm.

Specifications

동의어

6,8-Difluoro-4-methyl-2-oxo-2H-chromen-7-yldihydrogenphosphate | SCHEMBL329996 | AKOS040751567 | [(6,8-difluoro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid | CHEBI:133848 | 6,8-Difluoro-4-methyl-7-(phosphonooxy)-2H-1-benzopyran-2-one | HY-120166 |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Fluorescent phophatase substrate; widely used for the detection of phosphatase activity. Excitation/emission maxima are 358/455 nm.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504762134
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762134
• 정식 스마일: CC1=CC(=O)OC2=C(C(=C(C=C12)F)OP(=O)(O)O)F
• IUPAC Name: (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
• InChIKey: DZANYXOTJVLAEE-UHFFFAOYSA-N
• INCHI: 1S/C10H7F2O6P/c1-4-2-7(13)17-9-5(4)3-6(11)10(8(9)12)18-19(14,15)16/h2-3H,1H3,(H2,14,15,16)
• 이성체 SMILES: CC1=CC(=O)OC2=C(C(=C(C=C12)F)OP(=O)(O)O)F
• 분자량: 292.13
• Reaxy-Rn: 11123479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11123479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: Aryl phosphomonoesters 1-benzopyrans Pyranones and derivatives Benzenoids Aryl fluorides Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Aryl phosphate - Aryl phosphomonoester - Benzopyran - 1-benzopyran - Pyranone - Aryl fluoride - Aryl halide - Organic phosphoric acid derivative - Benzenoid - Pyran - Phosphoric acid ester - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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: Solvent:DMSO, Max Conc. mg/mL: 29.21, Max Conc. mM: 100
• 분자량: 292.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 291.995 Da
• Monoisotopic Mass: 291.995 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 461.000
• 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