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MS-L6

CAT: 0013-GTR19239525-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239525-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS-L6 (Agn-PC-0N3ahi, NSC34338) is a potent small molecule inhibitor of mitochondrial oxidative phosphorylation (OXPHOS) that specifically targets electron transport chain complex I. It blocks NADH oxidation, disrupting cellular energy metabolism, and has demonstrated significant antitumor activity in both in vitro and in vivo cancer research models.
CAS Number
63498-32-8
Field of Research
Cell Biology, Metabolism Research
Purity
99.98% (May vary between batches)
Smiles
N=C (NC1=CC=CC=C1) SCCCCCCSC (NC2=CC=CC=C2) =N.Br.Br
Molecular Formula
C20H28Br2N4S2
Molecular Weight
548.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(N'-phenylcarbamimidoyl)sulfanylhexyl N'-phenylcarbamimidothioate;dihydrobromide
CAS Number63498-32-8
PubChem CID131882472
IUPAC Name6-(N'-phenylcarbamimidoyl)sulfanylhexyl N'-phenylcarbamimidothioate;dihydrobromide
Molecular FormulaC20H28Br2N4S2
Molecular Weight548.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count28
Formal Charge0
Complexity388
SMILES
C1=CC=C(C=C1)N=C(N)SCCCCCCSC(=NC2=CC=CC=C2)N.Br.Br
InChI
InChI=1S/C20H26N4S2.2BrH/c21-19(23-17-11-5-3-6-12-17)25-15-9-1-2-10-16-26-20(22)24-18-13-7-4-8-14-18;;/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23)(H2,22,24);2*1H
InChIKey
MZEJAGCYRPPSDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(N'-phenylcarbamimidoyl)sulfanylhexyl N'-phenylcarbamimidothioate;dihydrobromide
CAS: 63498-32-8
CID: 131882472
Formula: C20H28Br2N4S2
MW: 548.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass548.01017
Monoisotopic Mass546.01221
Topological Polar Surface Area127 Ų
Heavy Atom Count28
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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