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Gimatecan

CAT: 0013-GTR19201796-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19201796-03Size: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
Gimatecan
CAS Number
292618-32-7
Product Name Alternative
LBQ 707, LBQ707, LBQ-707, Gimatecan, STI 481, STI481, STI-481, topoisomerase I
Field of Research
Molecular Biology
Purity
98.47% (May vary between batches)
Solubility
H2O:Insoluble; DMSO:31.5 mg/mL (70.39 mM) ;10% DMSO+90% Saline:2 mg/mL (4.47 mM)
Smiles
CC[C@@]1 (O) C (=O) OCc2c1cc1-c3nc4ccccc4c (\C=N\OC (C) (C) C) c3Cn1c2=O
Molecular Formula
C25H25N3O5
Molecular Weight
447.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gimatecan

Gimatecan is an orally available 7-t-butoxyiminomethyl-substituted lipophilic camptothecin derivative.

CAS Number292618-32-7
PubChem CID9577124
IUPAC Name(19S)-19-ethyl-19-hydroxy-10-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-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 FormulaC25H25N3O5
Molecular Weight447.5
XLogP2
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity948
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/OC(C)(C)C)O
InChI
InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1
InChIKey
UIVFUQKYVFCEKJ-OPTOVBNMSA-N
Chemical Structure
2D Structure
2D structure of Gimatecan
CAS: 292618-32-7
CID: 9577124
Formula: C25H25N3O5
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass447.17942091
Monoisotopic Mass447.17942091
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity948
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T21319-01Gimatecan
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A12856-25Gimatecan 25mg
A12856-10Gimatecan 10mg
A12856-1Gimatecan 1mg
A12856-10mM-DGimatecan 10mM * 1mL in DMSO

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