Aloe-emodin - ≥95% , CAS No.481-72-1

CAS: 481-72-1 Cat. No.: A111278 Summenformel: C₁₅H₁₀O₅ Molekulargewicht: 270.24 Beilstein Registry Number: 2059062 EG-Nummer: 207-571-7

QUALITÄT & REINHEIT ≥95%

Synonyms

9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- | Aloeemodin | Aloe-emodin | 3-(Hydroxymethyl)chrysazin | 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene | 1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9,10-DIHYDROANTHRACENE-9,10-DIONE | AloeEmo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Aloe-emodin is a hydroxyanthraquinone and an active component present in Aloe vera leaves and root/rhizome of Rheum palmatum, possessing specific in vitro and in vivo antineuroectodermal tumor activity.

Spezifikationen

Synonyme

9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- | Aloeemodin | Aloe-emodin | 3-(Hydroxymethyl)chrysazin | 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene | 1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9,10-DIHYDROANTHRACENE-9,10-DIONE | AloeEmo

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

Laxative/cathartic compound; increases the contraction of intestinal smooth muscle by releasing endogenous acetylcholine. Anti-tumor activity is associated with an increased production of reactive oxygen species (ROS) that, in turn, reduces the mitochondr

Anmeldung

Aloe-emodin may be used as a reference standard in the determination of aloe-emodin in Aloe vera extracts and commercial formulations using high-performance liquid chromatography (HPLC) coupled with tandem UV absorption and fluorimetric detection.

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Hinweis

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.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488181089

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181089

Kanonisches Lächeln

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO

IUPAC Name

1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione

InChIKey

YDQWDHRMZQUTBA-UHFFFAOYSA-N

INCHI

1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2

Isomere SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO

WGK Deutschland

3

RTECS

CB6712200

Molekulargewicht

270.24

Beilstein

2059062

Reaxy-Rn

2059062

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2059062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: Anthracenes and phenanthrenes

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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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)

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ALPG Tchem Alkaline phosphatase placental-like (1197 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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A498 (42825 Activities)

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CAKI-1 (44928 Activities)

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DMS-273 (14108 Activities)

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HT-29 (80576 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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RXF 631 (11415 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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XF498 (12972 Activities)

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A549 (127892 Activities)

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A-431 (6446 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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Alpha-chymotrypsin (819 Activities)

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Ttr Transthyretin (14 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Iap Intestinal alkaline phosphatase (419 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Acinetobacter baumannii (41033 Activities)

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Streptococcus mutans (2687 Activities)

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Phytophthora infestans (820 Activities)

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Enterococcus faecalis (29875 Activities)

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Plasmodium falciparum (966862 Activities)

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Fusarium oxysporum (3998 Activities)

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Mus musculus (284745 Activities)

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Hepatitis B virus (7925 Activities)

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PC-12 (7051 Activities)

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Man1 Alpha-mannosidase (188 Activities)

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B16-F10 (4610 Activities)

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FUCA1 Alpha-L-fucosidase 1 (358 Activities)

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Txnrd2 Thioredoxin reductase 2, mitochondrial (18 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Aldh1a7 Aldehyde dehydrogenase, cytosolic 1 (5 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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BCHE Cholinesterase (8742 Activities)

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Erwinia amylovora (182 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Fusarium graminearum (1554 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive;Air sensitive
• Schmelzpunkt (°C): 223-224°C
• Molekulargewicht: 270.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 270.053 Da
• Monoisotopic Mass: 270.053 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 420.000
• 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

Häufig gestellte Fragen

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 481-72-1, the molecular formula is C15H10O5, and the molecular weight is 270.24 g/mol. InChIKey YDQWDHRMZQUTBA-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.