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GL-331

CAT: 0013-GTR19198523-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198523-01Size:25 mg
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Description
GL-331 is a DNA topoisomerase II inhibitor investigated as a potential therapeutic agent for cancers such as small cell lung cancer and gastric carcinoma. Research applications include in vitro cytotoxicity assays and in vivo xenograft studies to evaluate its antitumor efficacy and mechanisms of action.
CAS Number
127882-73-9
Field of Research
Cell Biology
Smiles
O=C1[C@@]2 ([C@@H] (C=3C ([C@@H] (NC4=CC=C (N (=O) =O) C=C4) [C@]2 (CO1) [H]) =CC5=C (C3) OCO5) C6=CC (OC) =C (O) C (OC) =C6) [H]
Molecular Formula
C27H24N2O9
Molecular Weight
520.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GL-331

structure in first source

CAS Number127882-73-9
PubChem CID148091
IUPAC Name(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular FormulaC27H24N2O9
Molecular Weight520.5
XLogP3.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity863
SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C27H24N2O9/c1-34-21-7-13(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)28-14-3-5-15(6-4-14)29(32)33/h3-10,18,23-25,28,30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1
InChIKey
DLROLUIVVKTFPW-LVEBQJTPSA-N
Chemical Structure
2D Structure
2D structure of GL-331
CAS: 127882-73-9
CID: 148091
Formula: C27H24N2O9
MW: 520.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass520.14818035
Monoisotopic Mass520.14818035
Topological Polar Surface Area141 Ų
Heavy Atom Count38
Formal Charge0
Complexity863
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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