Belotecanicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione , DNA topoisomerase I inhibitor, CAS No.256411-32-2, DNA topoisomerase I inhibitor

CAS: 256411-32-2 Cat. No.: B669854 Molecular Weight: 433.5 PubChem CID: 6456014
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Synonyms
Belotecan | HY-13566 | UNII-27Z82M2G1N | CKD 602 | CHEBI:135702 | Belotecan free base | (4S)-4-ETHYL-4-HYDROXY-11-(2-((1-METHYLETHYL)AMINO)ETHYL)-1,12-DIHYDRO-14H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H)-DIONE | SCHEMBL18983 | (S)-4-Ethyl-4-hy
Storage
Room temperature
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Size
Status
Price
Qty
100mg
B669854-100mg
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$1,490.90

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250mg
B669854-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,986.90

$2,318.90
Save $332.00 (14.32%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Specifications

Synonyms
Belotecan | HY-13566 | UNII-27Z82M2G1N | CKD 602 | CHEBI:135702 | Belotecan free base | (4S)-4-ETHYL-4-HYDROXY-11-(2-((1-METHYLETHYL)AMINO)ETHYL)-1, 12-DIHYDRO-14H-PYRANO(3', 4':6, 7)INDOLIZINO(1, 2-B)QUINOLINE-3, 14(4H)-DIONE | SCHEMBL18983 | (S)-4-Ethyl-4-hy
Storage
Room temperature
Action Type
INHIBITOR
Mechanism of action
DNA topoisomerase I inhibitor
Product Properties
ALogP1.6
Names and Identifiers
Canonical SmilesCC(C)NCCC1=C2C(=NC3C1=CC=CC=3)C4N(C2)C(=O)C5=C(C=4)[C@](CC)(O)C(=O)OC5
IUPAC Name(19S)-19-ethyl-19-hydroxy-10-[2-(propan-2-ylamino)ethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
InChIKeyLNHWXBUNXOXMRL-VWLOTQADSA-N
INCHI1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1
Isomeric SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O
Alternate CAS 256411-32-2
PubChem CID 6456014
MeSH Entry Terms 7-(2-(N-isopropylamino)ethyl)camptothecin;belotecan;belotecan hydrochloride;CKD 602;CKD-602;CKD602
Molecular Weight 433.5

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
SuperclassAlkaloids and derivatives
ClassCamptothecins
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCamptothecins
Alternative Parents Quinolines and derivatives  Pyranopyridines  Pyridinones  Aralkylamines  Benzenoids  Tertiary alcohols  Heteroaromatic compounds  Amino acids and derivatives  Lactones  Lactams  Carboxylic acid esters  Oxacyclic compounds  Azacyclic compounds  Monocarboxylic acids and derivatives  Dialkylamines  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Camptothecin - Pyranopyridine - Quinoline - Pyridinone - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Oxacycle - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight433.500 g/mol
XLogP31.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass433.2 Da
Monoisotopic Mass433.2 Da
Topological Polar Surface Area91.800 Ų
Heavy Atom Count32
Formal Charge0
Complexity865.000
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
Solution Calculators
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