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S130

CAT: 0931-T12819-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T12819-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1160852-22-1
Target
Apoptosis, Autophagy, Cysteine Protease
Related Pathways
Autophagy, Apoptosis, Proteases/Proteasome
Bioactivity
S130 is a high affinity, selectiveATG4B (a major cysteine protease) inhibitor (IC50 of 3.24 μM) .It suppresses autophagy flux.
Smiles
CCN(CC)CCCNC(=O)c1cnc2C(=O)c3ccccc3-c3cccc1c23
Molecular Formula
C24H25N3O2
Molecular Weight
387.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 44128205
CAS Number1160852-22-1
PubChem CID44128205
IUPAC NameN-[3-(diethylamino)propyl]-8-oxo-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-12-carboxamide
Molecular FormulaC24H25N3O2
Molecular Weight387.5
XLogP4
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity591
SMILES
CCN(CC)CCCNC(=O)C1=CN=C2C3=C1C=CC=C3C4=CC=CC=C4C2=O
InChI
InChI=1S/C24H25N3O2/c1-3-27(4-2)14-8-13-25-24(29)20-15-26-22-21-17(11-7-12-18(20)21)16-9-5-6-10-19(16)23(22)28/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,25,29)
InChIKey
DZUCZYXRADUTMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 44128205
CAS: 1160852-22-1
CID: 44128205
Formula: C24H25N3O2
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass387.19467705
Monoisotopic Mass387.19467705
Topological Polar Surface Area62.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity591
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

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