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Lexitropsin

CAT: 0013-GTR19198982-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198982-02Size:50 mg
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Description
Lexitropsin is a synthetic small molecule anticancer agent for research use. It functions as a DNA minor groove binder, showing activity in vitro against various cancer cell lines and has been investigated in vivo for its potential in oncology and molecular biology studies.
CAS Number
110124-49-7
Field of Research
Molecular Biology
Smiles
C (NCCCN (C) C) (=O) C=1N (CCC) C=C (NC (=O) C=2OC (NC (C) =O) =CC2) C1
Molecular Formula
C20H29N5O4
Molecular Weight
403.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lexitropsin

structure given in first source; information reading oligopeptide

CAS Number110124-49-7
PubChem CID119575
IUPAC Name4-[(5-acetamidofuran-2-carbonyl)amino]-N-[3-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
Molecular FormulaC20H29N5O4
Molecular Weight403.5
XLogP1.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity571
SMILES
CCCN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC=C(O2)NC(=O)C
InChI
InChI=1S/C20H29N5O4/c1-5-10-25-13-15(12-16(25)19(27)21-9-6-11-24(3)4)23-20(28)17-7-8-18(29-17)22-14(2)26/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,21,27)(H,22,26)(H,23,28)
InChIKey
QUHGSDZVAPFNLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lexitropsin
CAS: 110124-49-7
CID: 119575
Formula: C20H29N5O4
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass403.22195442
Monoisotopic Mass403.22195442
Topological Polar Surface Area109 Ų
Heavy Atom Count29
Formal Charge0
Complexity571
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
HY-114582Lexitropsin
MBS5775433Lexitropsin 1

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