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Intoplicine

CAT: 0013-GTR19203753-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203753-02Size:50 mg
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Description
Intoplicine is a dual inhibitor of both DNA topoisomerase I and II. It is used in biochemical and cancer research to study topoisomerase function and has been investigated in preclinical in vitro and in vivo models for its antitumor potential.
CAS Number
125974-72-3
Field of Research
Molecular Biology, Pharmacology & Drug Discovery
Smiles
CN (C) CCCNc1ncc (C) c2[nH]c3ccc4cc (O) ccc4c3c12
Molecular Formula
C21H24N4O
Molecular Weight
348.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Intoplicine

Intoplicine is a pyridoindole.

CAS Number125974-72-3
PubChem CID65954
IUPAC Name16-[3-(dimethylamino)propylamino]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
Molecular FormulaC21H24N4O
Molecular Weight348.4
XLogP4.3
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity473
SMILES
CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C
InChI
InChI=1S/C21H24N4O/c1-13-12-23-21(22-9-4-10-25(2)3)19-18-16-7-6-15(26)11-14(16)5-8-17(18)24-20(13)19/h5-8,11-12,24,26H,4,9-10H2,1-3H3,(H,22,23)
InChIKey
QROONAIPJKQFMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Intoplicine
CAS: 125974-72-3
CID: 65954
Formula: C21H24N4O
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass348.19501140
Monoisotopic Mass348.19501140
Topological Polar Surface Area64.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4539-1Intoplicine
HY-101647A-01Intoplicine (dimesylate)
T38731-01Intoplicine dimesylate
A20104-5Intoplicine 5mg
HY-101647RIntoplicine (Standard)
A20104-100Intoplicine 100mg
A20104-50Intoplicine 50mg
A20104-25Intoplicine 25mg
A20104-10Intoplicine 10mg
A20104-1Intoplicine 1mg

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