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4'-Demethylpodophyllotoxin - 10mM in DMSO , CAS No.40505-27-9

CAS: 40505-27-9 Cat. No.: D423852 Molecular Weight: 400.38
COA
4'-Demethylpodophyllotoxin - 10mM in DMSO CAS No(40505-27-9) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
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 -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
D423852-1ml
2

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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Overview

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

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
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
4'-Demethylpodophyllotoxin is isolated from the herb of Dysosma pleiantha (Hance) Woodson with remarkable cytotoxic potential in diverse cancer cell lines.
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties
ALogP1.886
hba_count6
HBD Count2
Rotatable Bond3
Names and Identifiers
Canonical SmilesCOC1=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
Isomeric 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
Molecular Weight 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.

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✅ 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
ClassLignan 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLC4 cell line (37 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
pol Human immunodeficiency virus type 1 integrase (9041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Top2 DNA topoisomerase II (15 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human alphaherpesvirus 1 (11089 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vesicular stomatitis virus (4460 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P388 (20296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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.

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Lot NumberCertificate TypeDateItem
E2423021Certificate of AnalysisApr 02, 2026 D423852
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility80
DMSO(mM) Max Solubility199.8101803
Molecular Weight400.400 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
Solution Calculators
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