Hederacolchiside A1 - ≥99% , CAS No.106577-39-3

CAS: 106577-39-3 Cat. No.: H647592 Fórmula: C₄₇H₇₆O₁₆ Peso molecular: 897.10 PubChem CID: 11622076

GRADE & PURITY ≥99%

Synonyms

MS-31671 | Hederacolchiside A1 | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Hederacolchiside A1, isolated from Pulsatilla chinensis , suppresses proliferation of tumor cells by inducing apoptosis through modulating PI3K/Akt/mTOR signaling pathway Hederacolchiside A1 has antischistosomal activity, affecting parasite viability both in vivo and in vitro .

In Vitro

Hederacolchiside A1 reduces the mitochondrial membrane potential and Bcl-2 protein levels, whereas cleaved caspase-3 was higher. Hederacolchiside A1 effectively inhibits the phosphorylations of phosphatidylinositol 3 kinase (PI3K), protein kinase B (Akt), and mammalian target of rapamycin (mTOR). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

hederacolchiside A1 (3.0, 4.5, and 6.0 mg/kg, ip) can significantly inhibit the weight of tumor in an H22 xenograft model . Hederacolchiside A1 (3.25, 7.5, and 15.0 mg/kg, ig) can significantly inhibit the weight of tumor in nude mice xenograft tumor models using human breast carcinoma MCF-7 cells . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:PI3K mTOR

Specifications

Sinónimos

MS-31671 | Hederacolchiside A1 | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Hederacolchiside A1, isolated from Pulsatilla chinensis , suppresses proliferation of tumor cells by inducing apoptosis through modulating PI3K/Akt/mTOR signaling pathway. Hederacolchiside A1 has antischistosomal activity, affecting parasite viabili

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O

IUPAC Name

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

InChIKey

FYSAXYBPXKLMJO-IFECXJOTSA-N

INCHI

1S/C47H76O16/c1-22-30(49)33(52)35(54)38(59-22)63-37-32(51)26(61-39-36(55)34(53)31(50)25(20-48)60-39)21-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1

SMILES isoméricas

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O

CAS alternativo

106577-39-3

PubChem CID

11622076

Termos de entrada MeSH

raddeanoside R13

Peso molecular

897.10

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: O-glycosyl compounds Disaccharides Oxanes Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Polyol - Organoheterocyclic compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alcohol - Primary alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

Alvos associados (humanos)

DLD-1 (17511 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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PC-3 (62116 Activities)

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U-937 (7138 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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L02 (4864 Activities)

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Alvos associados (não humanos)

Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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Biomphalaria alexandrina (154 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (111.47 mM; Need ultrasonic)
• Peso molecular: 897.100 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 896.513 Da
• Monoisotopic Mass: 896.513 Da
• Topological Polar Surface Area: 255.000 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 1720.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 22
• 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

Perguntas frequentes

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.