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MS-L6

CAT: 0957-E4709-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E4709-02Size: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 inhibitor of OXPHOS, targeting electron transport chain complexes I (ETC-I), combining inhibition of NADH oxidation and uncoupling effect, on the respiratory chain. It exhibits potent antitumor efficacy.
CAS Number
63498-32-8
Synonyms
Agn-PC-0N3ahi, NSC34338
Target
OXPHOS
Activity
Apoptosis
Molecular Formula
C20H26N4S2.2BrH

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
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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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