Taccalonolide A - ≥99% , CAS No.108885-68-3

CAS: 108885-68-3 Cat. No.: T648501 분자식: C₃₆H₄₆O₁₄ 분자량: 702.74 PubChem CID: 441685

GRADE & PURITY ≥99%

Synonyms

A904550 | CHEBI:9388 | AKOS037515195 | 16,24-Cycloergost-22-en-26-oicacid, 1,11,12,15-tetrakis(acetyloxy)-2,3-epoxy-7,23,25-trihydroxy-6-oxo-, g-lactone, (1a,2a,3a,5a,7b,11a,12a,15a,16b,24b,25S)- | Q27108373 | AC1L9BGV | DTXSID80910895 | PTTJLTMUKRRHAT-VJ

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

개요

Taccalonolide A is a microtubule stabilizer, which is a steroid isolated from Tacca chantrieri , with cytotoxic and antimalarial activities Taccalonolide A causes G 2 -M accumulation, Bcl-2 phosphorylation and initiation of apoptosis Taccalonolide A is effective in vitro against cell lines that overexpress P-glycoprotein (Pgp) and multidrug resistance protein 7 (MRP7), with an IC 50 of 622 nM for SK-OV-3 cells

Form:Solid

IC50& Target:microtubule

Specifications

동의어

A904550 | CHEBI:9388 | AKOS037515195 | 16,24-Cycloergost-22-en-26-oicacid, 1,11,12,15-tetrakis(acetyloxy)-2,3-epoxy-7,23,25-trihydroxy-6-oxo-, g-lactone, (1a,2a,3a,5a,7b,11a,12a,15a,16b,24b,25S)- | Q27108373 | AC1L9BGV | DTXSID80910895 | PTTJLTMUKRRHAT-VJ

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Taccalonolide A is a microtubule stabilizer, which is a steroid isolated from Tacca chantrieri , with cytotoxic and antimalarial activities. Taccalonolide A causes G 2 -M accumulation, Bcl-2 phosphorylation and initiation of apoptosis. Tacca

보관 조건

Store at 2-8°C,Protected from light,Desiccated

배송

Wet ice

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순수함

≥99%

이름과 식별자

정식 스마일

CC1C=C2C(C3C1C4(C(C3OC(=O)C)C5C(C(C4OC(=O)C)OC(=O)C)C6(C(CC7C(C6OC(=O)C)O7)C(=O)C5O)C)C)(C(C(=O)O2)(C)O)C

IUPAC Name

[(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14,25-triacetyloxy-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate

InChIKey

PTTJLTMUKRRHAT-VJAKQJMOSA-N

INCHI

1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17-,18+,20+,21+,22-,23-,24+,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1

이성체 SMILES

C[C@@H]1C=C2[C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3OC(=O)C)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C

대체 CAS

108885-68-3

PubChem CID

441685

MeSH 용어

taccalonolide A

분자량

702.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Steroids and steroid derivatives
      • Subclass Steroid lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Withanolides and derivatives
• Alternative Parents: Steroid esters 6-oxosteroids 7-hydroxysteroids Pentacarboxylic acids and derivatives Oxepanes Tetrahydrofurans Tertiary alcohols Enol esters Lactones Ketones Cyclic alcohols and derivatives Secondary alcohols Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Withanolide-skeleton - Steroid ester - Hydroxysteroid - Oxosteroid - 6-oxosteroid - 7-hydroxysteroid - Pentacarboxylic acid or derivatives - Oxepane - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Enol ester - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxirane - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring.
• External Descriptors: Triterpenoids (C30)

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

관련 대상(비인간)

Mus musculus (284745 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 702.700 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 702.289 Da
• Monoisotopic Mass: 702.289 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1620.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 108885-68-3, the molecular formula is C36H46O14, and the molecular weight is 702.74 g/mol. InChIKey PTTJLTMUKRRHAT-VJAKQJMOSA-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.