Apiin - ≥97%(HPLC) , CAS No.26544-34-3

CAS: 26544-34-3 Cat. No.: A464444 Formula: C₂₆H₂₈O₁₄ Peso molecolare: 564.49 Numero EC: 247-780-0

GRADE & PURITY ≥97%(HPLC)

Synonyms

7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-5,7,4'-trihydroxyflavone | HY-N0577 | DTXSID90949393 | SR-01000712126-2 | 7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-apigenin | KBio3_002815 | Spectrum5_000553 | 6QU3EZE37U | KBio1_001979 | 7-((2-O-.B

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-5,7,4'-trihydroxyflavone | HY-N0577 | DTXSID90949393 | SR-01000712126-2 | 7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-apigenin | KBio3_002815 | Spectrum5_000553 | 6QU3EZE37U | KBio1_001979 | 7-((2-O-.B

Specifiche e purezza

≥97%(HPLC)

Meccanismi biochimici e fisiologici

Apiin is one of the main components of Apium graveolens leaves and has anti-inflammatory properties. Apiin can inhibit the production of nitrite (NO) in vitro (IC50=0.08 mg/mL) and the expression of iNOS in LPS-activated J774.A1 cells (IC50=0.049 mg/mL).

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%(HPLC)

Nomi e identificatori

• Pubchem Sid: 488195215
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195215
• Sorrisi canonici: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O
• IUPAC Name: 7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
• InChIKey: NTDLXWMIWOECHG-YRCFQSNFSA-N
• INCHI: 1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1
• Isomeri SMILES: C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O
• Peso molecolare: 564.49
• Reaxy-Rn: 27723683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27723683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-7-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-7-O-glycosides
• Alternative Parents: 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones Phenolic glycosides Chromones Disaccharides O-glycosyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Benzene and substituted derivatives Oxanes Heteroaromatic compounds Tetrahydrofurans Vinylogous acids Tertiary alcohols Secondary alcohols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - Chromone - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Oxane - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
• External Descriptors: flavones

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

Obiettivi associati (umani)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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RAW264.7 (28094 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture & Light sensitive
• Peso molecolare: 564.500 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 564.148 Da
• Monoisotopic Mass: 564.148 Da
• Topological Polar Surface Area: 225.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 923.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 26544-34-3, the molecular formula is C26H28O14, and the molecular weight is 564.49 g/mol. InChIKey NTDLXWMIWOECHG-YRCFQSNFSA-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.