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DRF-1042

CAT: 1410-M33344-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M33344-05Size:50 mg
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Description
DRF-1042, an orally active camptothecin analog, exhibits anticancer and insecticidal activities by inhibiting DNA topoisomerase I. It has been studied for its efficacy against solid tumors, including prostate and colon cancers.
CAS Number
200619-13-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
408.4
Molecular Formula
C22H20N2O6
Notes
Research use only, not for human use.
Receptor
Topoisomerase

Chemical Information

Drf-1042

Antineoplastic Agent; structure in first source

CAS Number200619-13-2
PubChem CID23631031
IUPAC Name(19S)-19-ethyl-19-hydroxy-12-(2-hydroxyethoxy)-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
Molecular FormulaC22H20N2O6
Molecular Weight408.4
XLogP0.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity822
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3C(C4=CC5=CC=CC=C5N=C4C3=C2)OCCO)O
InChI
InChI=1S/C22H20N2O6/c1-2-22(28)15-10-17-18-13(9-12-5-3-4-6-16(12)23-18)20(29-8-7-25)24(17)19(26)14(15)11-30-21(22)27/h3-6,9-10,20,25,28H,2,7-8,11H2,1H3/t20?,22-/m0/s1
InChIKey
XAKLYHGHEFMDAP-IAXKEJLGSA-N
Chemical Structure
2D Structure
2D structure of Drf-1042
CAS: 200619-13-2
CID: 23631031
Formula: C22H20N2O6
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass408.13213636
Monoisotopic Mass408.13213636
Topological Polar Surface Area109 Ų
Heavy Atom Count30
Formal Charge0
Complexity822
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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