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Rubitecan

CAT: 1410-M20618-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M20618-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rubitecan is a DNA topoisomerase I inhibitor. It inhibits DNA topoisomerase I and increases the fraction of supercoiled DNA in a cell-free assay in a concentration-dependent manner.Rubitecan is a semisynthetic agent related to camptothecin with potent antitumor and antiviral properties.
CAS Number
91421-42-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
393.35
Molecular Formula
C20H15N3O6
Notes
Research use only, not for human use.
Receptor
Topoisomerase I

Chemical Information

Rubitecan

Rubitecan is a pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin. It has a role as an antineoplastic agent, a prodrug and an EC 5.99.1.2 (DNA topoisomerase) inhibitor. It is a delta-lactone, a tertiary alcohol, a C-nitro compound, a pyranoindolizinoquinoline and a semisynthetic derivative.

CAS Number91421-42-0
PubChem CID472335
IUPAC Name(19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Molecular FormulaC20H15N3O6
Molecular Weight393.3
XLogP0.8
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity861
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O
InChI
InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
InChIKey
VHXNKPBCCMUMSW-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Rubitecan
CAS: 91421-42-0
CID: 472335
Formula: C20H15N3O6
MW: 393.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.3
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass393.09608521
Monoisotopic Mass393.09608521
Topological Polar Surface Area126 Ų
Heavy Atom Count29
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T5853-01Rubitecan
A22040-50Rubitecan 50mg
A22040-25Rubitecan 25mg
A22040-5Rubitecan 5mg
A22040-100Rubitecan 100mg
A22040-10Rubitecan 10mg
A22040-10mM-DRubitecan 10mM * 1mL in DMSO

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