2-Demethyl Colchicine - ≥95% , CAS No.102491-80-5

CAS: 102491-80-5 Cat. No.: D340672 Molecular Weight: 385.41
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
V9U19L3N0J | Acetamide, N-[(7S)-5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl]- | NSC180533 | NSC-180533 | 2-O-demethyl colchicine | (-)-2-Demethylcolchicine | Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxob
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
D340672-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$181.90
10mg
D340672-10mg
1
$279.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% 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.

📋

Quality documents

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

📚

Literature proof

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

Overview

2-Demethyl Colchicine is a metabolite of Colchicine, and shows anti-tumor activity.

Specifications

Synonyms
V9U19L3N0J | Acetamide, N-[(7S)-5, 6, 7, 9-tetrahydro-2-hydroxy-1, 3, 10-trimethoxy-9-oxobenzo[a]heptalen-7-yl]- | NSC180533 | NSC-180533 | 2-O-demethyl colchicine | (-)-2-Demethylcolchicine | Acetamide, N-(5, 6, 7, 9-tetrahydro-2-hydroxy-1, 3, 10-trimethoxy-9-oxob
Specifications & Purity
≥95%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
IUPAC NameN-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
InChIKeyDPOVAJCRYIUTBD-HNNXBMFYSA-N
INCHI1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
Isomeric SMILES CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
Molecular Weight 385.41
Reaxy-Rn 2824074
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2824074&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.

Look up COA →

📊 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
SuperclassHydrocarbon derivatives
ClassTropones
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTropones
Alternative Parents Anisoles  Alkyl aryl ethers  Acetamides  Secondary carboxylic acid amides  Cyclic ketones  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Anisole - Tropone - Alkyl aryl ether - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Cyclic ketone - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TUBB1 Tclin Tubulin beta-1 chain (182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
1A9 (618 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB 3-1 (1143 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H9 (1832 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)
TUBB2B Tubulin beta chain (424 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human immunodeficiency virus 1 (70413 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.

2 results found

Lot NumberCertificate TypeDateItem
K2404256Certificate of AnalysisSep 02, 2024 D340672
K2404257Certificate of AnalysisSep 02, 2024 D340672
Chemical and Physical Properties
SolubilitySoluble in Chloroform (Sparingly)
Melt Point(°C)166-168°C (lit.)
Molecular Weight385.400 g/mol
XLogP30.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass385.153 Da
Monoisotopic Mass385.153 Da
Topological Polar Surface Area94.100 Ų
Heavy Atom Count28
Formal Charge0
Complexity724.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

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