4'-Demethylpodophyllotoxin - ≥98% , CAS No.40505-27-9

CAS: 40505-27-9 Cat. No.: D413075 Peso molecular: 400.38
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
AS-58706 | FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-9-HYDROXY-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR,9R)- | UNII-7N5E50463V | s3908 | SCHEMBL12278154 | Q27105499 | AC-34637 | 7N5E50463V | CHEBI:1730 | DTXSID2013117
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
D413075-5mg
3

51,90US$

77,90US$
Guardar 26,00 US$ (33.38%)
25mg
D413075-25mg
2

191,90US$

287,90US$
Guardar 96,00 US$ (33.34%)
50mg
D413075-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

277,90US$

416,90US$
Guardar 139,00 US$ (33.34%)
100mg
D413075-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

391,90US$

587,90US$
Guardar 196,00 US$ (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Information

4'-Demethylpodophyllotoxin is isolated from the herb of Dysosma pleiantha (Hance) Woodson with remarkable cytotoxic potential in diverse cancer cell lines.


In vivo

The mean pharmacokinetic parameters of 4\'-Demethylpodophyllotoxin after oral administration of 367 mg/kg Diphylleia sinensis extract: Cmax=42.4 ± 14.6 ng/ml, Tmax= 1.60 ± 0.92 h, T1/2z=3.35 ± 0.85 h, AUC(0-t)=262 ± 122 ng·h/ml and AUC(0-∞)=301 ± 129 ng·h/ml.

Specifications

Sinónimos
AS-58706 | FURO(3', 4':6, 7)NAPHTHO(2, 3-D)-1, 3-DIOXOL-6(5AH)-ONE, 5, 8, 8A, 9-TETRAHYDRO-9-HYDROXY-5-(4-HYDROXY-3, 5-DIMETHOXYPHENYL)-, (5R, 5AR, 8AR, 9R)- | UNII-7N5E50463V | s3908 | SCHEMBL12278154 | Q27105499 | AC-34637 | 7N5E50463V | CHEBI:1730 | DTXSID2013117
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
4'-Demethylpodophyllotoxin is isolated from the herb of Dysosma pleiantha (Hance) Woodson with remarkable cytotoxic potential in diverse cancer cell lines.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Propiedades del producto
ALogP1.886
hba_count6
Recuento HBD2
Enlace rotable3
Nombres e identificadores
Pubchem Sid504756876
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504756876
Sonrisas canónicasCOC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
IUPAC Name(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
InChIKeyYVCVYCSAAZQOJI-BTINSWFASA-N
INCHI1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1
Isómeros SMILES COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
Peso molecular 400.38
Reaxy-Rn 365236
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=365236&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
ClaseLignan lactones
SubclassPodophyllotoxins
Intermediate Tree Nodes Not available
Direct ParentPodophyllotoxins
Alternative Parents Aryltetralin lignans  Furanonaphthodioxoles  Tetralins  Dimethoxybenzenes  Methoxyphenols  Benzodioxoles  Anisoles  Phenoxy compounds  Alkyl aryl ethers  Gamma butyrolactones  Tetrahydrofurans  Carboxylic acid esters  Secondary alcohols  Monocarboxylic acids and derivatives  Oxacyclic compounds  Acetals  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Lactone - Carboxylic acid ester - Secondary alcohol - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).
External Descriptors Lignans
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
K2229559Certificate of AnalysisSep 08, 2025 D413075
K2229713Certificate of AnalysisSep 08, 2025 D413075
K2229714Certificate of AnalysisSep 08, 2025 D413075
K2229736Certificate of AnalysisSep 08, 2025 D413075
Propiedades químicas y físicas
SolubilidadSolubility (25°C) In vitro DMSO: 80 mg/mL (199.81 mM);    
DMSO (mg/ml) Solubilidad máxima80
DMSO (mM) Solubilidad máxima199.8101803
Peso molecular400.400 g/mol
XLogP31.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass400.116 Da
Monoisotopic Mass400.116 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity614.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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