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KS106

CAT: 0013-GTR19185857-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185857-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KS106 is a potent, selective inhibitor of ALDH1A1, ALDH2, and ALDH3A1 with demonstrated antiproliferative activity. It induces apoptosis and G2/M cell cycle arrest, making it a useful research tool for studying cancers such as melanoma and colon cancer in both in vitro and in vivo models.
CAS Number
2408477-50-7
Field of Research
Cell Biology, Metabolism Research
Purity
99.31% (May vary between batches)
Smiles
Br.NC (=N) SCc1ccc (CN2C (=O) C (=O) c3cc (ccc23) C (F) (F) F) cc1
Molecular Formula
C18H15BrF3N3O2S
Molecular Weight
474.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-[[2,3-Dioxo-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methyl carbamimidothioate;hydrobromide
CAS Number2408477-50-7
PubChem CID155235342
IUPAC Name[4-[[2,3-dioxo-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methyl carbamimidothioate;hydrobromide
Molecular FormulaC18H15BrF3N3O2S
Molecular Weight474.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity605
SMILES
C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(F)(F)F)C(=O)C2=O)CSC(=N)N.Br
InChI
InChI=1S/C18H14F3N3O2S.BrH/c19-18(20,21)12-5-6-14-13(7-12)15(25)16(26)24(14)8-10-1-3-11(4-2-10)9-27-17(22)23;/h1-7H,8-9H2,(H3,22,23);1H
InChIKey
AHVSKNDQJSDEMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[[2,3-Dioxo-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methyl carbamimidothioate;hydrobromide
CAS: 2408477-50-7
CID: 155235342
Formula: C18H15BrF3N3O2S
MW: 474.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass473.00204
Monoisotopic Mass473.00204
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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