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S130

CAT: 0804-HY-112818-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112818-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S130 is a high affinity, selective inhibitor of ATG4B (a major cysteine protease) with an IC50 of 3.24 µM. S130 suppresses autophagy flux[1].
CAS Number
1160852-22-1
UNSPSC
12352005
Target
Apoptosis; Atg4; Autophagy; Cathepsin
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/s130.html
Purity
99.43
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C1C2=CC=CC=C2C3=C4C1=NC=C(C(NCCCN(CC)CC)=O)C4=CC=C3
Molecular Formula
C24H25N3O2
Molecular Weight
387.47
References & Citations
[1]Fu Y, et al. Discovery of a small molecule targeting autophagy via ATG4B inhibition and cell death of colorectal cancer cells in vitro and in vivo. Autophagy. 2018 Sep 20:1-17.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
View on PubChemRaw 3D data
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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