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T-2513 hydrochloride

CAT: 0013-GTR19185437-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185437-01Size:25 mg
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Description
T-2513 hydrochloride is a selective topoisomerase I inhibitor that stabilizes the enzyme-DNA complex, blocking DNA replication and RNA synthesis to induce cell death. It is used in cancer research for studying chemotherapy mechanisms and has shown activity in both cellular and animal models of tumors.
CAS Number
187793-52-8
Field of Research
Cell Biology, Molecular Biology
Smiles
Cl.CCc1c2Cn3c (cc4c (COC (=O) [C@]4 (O) CC) c3=O) -c2nc2ccc (OCCCN) cc12
Molecular Formula
C25H28ClN3O5
Molecular Weight
485.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

T-2513 hydrochloride
CAS Number187793-52-8
PubChem CID9848247
IUPAC Name(19S)-7-(3-aminopropoxy)-10,19-diethyl-19-hydroxy-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;hydrochloride
Molecular FormulaC25H28ClN3O5
Molecular Weight486.0
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity885
SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OCCCN.Cl
InChI
InChI=1S/C25H27N3O5.ClH/c1-3-15-16-10-14(32-9-5-8-26)6-7-20(16)27-22-17(15)12-28-21(22)11-19-18(23(28)29)13-33-24(30)25(19,31)4-2;/h6-7,10-11,31H,3-5,8-9,12-13,26H2,1-2H3;1H/t25-;/m0./s1
InChIKey
MIZGPLODSZKVPX-UQIIZPHYSA-N
Chemical Structure
2D Structure
2D structure of T-2513 hydrochloride
CAS: 187793-52-8
CID: 9848247
Formula: C25H28ClN3O5
MW: 486.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass485.1717487
Monoisotopic Mass485.1717487
Topological Polar Surface Area115 Ų
Heavy Atom Count34
Formal Charge0
Complexity885
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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