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Chimmitecan

CAT: 0931-T60123-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T60123-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
185425-25-6
Target
Topoisomerase
Related Pathways
DNA Damage/DNA Repair
Purity
0.985
Bioactivity
Chimmitecan ((S) -9-Allyl-10-hydroxycamptothecin) is a potent topoisomerase I inhibitor with exceptional in vitro and in vivo activity.
Smiles
C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C=4C(C3)=CC=5C(N4)=CC=C(O)C5CC=C)COC1=O
Molecular Formula
C23H20N2O5
Molecular Weight
404.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chimmitecan

has antineoplastic activity; structure in first source

CAS Number185425-25-6
PubChem CID11603813
IUPAC Name(19S)-19-ethyl-7,19-dihydroxy-8-prop-2-enyl-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 FormulaC23H20N2O5
Molecular Weight404.4
XLogP1.7
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity864
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CC=C)O)N=C4C3=C2)O
InChI
InChI=1S/C23H20N2O5/c1-3-5-13-14-8-12-10-25-18(20(12)24-17(14)6-7-19(13)26)9-16-15(21(25)27)11-30-22(28)23(16,29)4-2/h3,6-9,26,29H,1,4-5,10-11H2,2H3/t23-/m0/s1
InChIKey
AXXPNDLHTNUMIK-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Chimmitecan
CAS: 185425-25-6
CID: 11603813
Formula: C23H20N2O5
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass404.13722174
Monoisotopic Mass404.13722174
Topological Polar Surface Area100 Ų
Heavy Atom Count30
Formal Charge0
Complexity864
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
BA4558-5Chimmitecan
GTR19248988-01CL2A-Chimmitecan

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