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Metesind

CAT: 0013-GTR19197080-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197080-01Size:25 mg
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Description
Metesind is a thymidylate synthase inhibitor investigated for its potential in oncology research, particularly against solid tumors and brain cancers. Studies in both in vitro and in vivo models support its role in disrupting DNA synthesis, making it a candidate for antitumor agent development.
CAS Number
138384-68-6
Smiles
N (CC1=CC=C (S (=O) (=O) N2CCOCC2) C=C1) (C) C=3C=4C=5C (N=C (N) C5C=CC4) =CC3
Molecular Formula
C23H24N4O3S
Molecular Weight
436.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Metesind

Metesind is a small molecule drug. Metesind has a monoisotopic molecular weight of 436.16 Da.

CAS Number138384-68-6
PubChem CID3047716
IUPAC Name6-N-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine
Molecular FormulaC23H24N4O3S
Molecular Weight436.5
XLogP2.2
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity768
SMILES
CN(CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=C4C=CC=C5C4=C(C=C3)N=C5N
InChI
InChI=1S/C23H24N4O3S/c1-26(21-10-9-20-22-18(21)3-2-4-19(22)23(24)25-20)15-16-5-7-17(8-6-16)31(28,29)27-11-13-30-14-12-27/h2-10H,11-15H2,1H3,(H2,24,25)
InChIKey
CVEGTZWWWRJCFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metesind
CAS: 138384-68-6
CID: 3047716
Formula: C23H24N4O3S
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass436.15691181
Monoisotopic Mass436.15691181
Topological Polar Surface Area96.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity768
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-114100Metesind
MBS5774206Metesind Glucuronate
HY-19157Metesind (glucuronate)

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