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ASPER-29

CAT: 0931-T73395-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T73395-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2630388-03-1
Target
Others, Cysteine Protease
Related Pathways
Others, Proteases/Proteasome
Bioactivity
ASPER-29, an analog of Asperphenamate, acts as a dual inhibitor of cathepsin L and S, displaying inhibitory concentrations (IC50) of 6.03 μM and 5.02 μM, respectively. This compound is utilized in the study of cancer migration and invasion.
Smiles
[C@H](CC1=CC=CC=C1)(NS(=O)(=O)C2=CC=C(Br)C=C2)COC([C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)=O
Molecular Formula
C31H29BrN2O5S
Molecular Weight
621.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Asper-29
CAS Number2630388-03-1
PubChem CID168446590
IUPAC Name[(2R)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
Molecular FormulaC31H29BrN2O5S
Molecular Weight621.5
XLogP6.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity884
SMILES
C1=CC=C(C=C1)C[C@H](COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C31H29BrN2O5S/c32-26-16-18-28(19-17-26)40(37,38)34-27(20-23-10-4-1-5-11-23)22-39-31(36)29(21-24-12-6-2-7-13-24)33-30(35)25-14-8-3-9-15-25/h1-19,27,29,34H,20-22H2,(H,33,35)/t27-,29+/m1/s1
InChIKey
PVSAZGHLDWSSJJ-PXJZQJOASA-N
Chemical Structure
2D Structure
2D structure of Asper-29
CAS: 2630388-03-1
CID: 168446590
Formula: C31H29BrN2O5S
MW: 621.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.5
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass620.09806
Monoisotopic Mass620.09806
Topological Polar Surface Area110 Ų
Heavy Atom Count40
Formal Charge0
Complexity884
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-152210ASPER-29
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MBS1003495-01Recombinant Bothrops asper Phospholipase A2 homolog 2
MBS1049814-01Recombinant Bothrops asper Myotoxin inhibitor protein MIP
MBS7100978-01Recombinant Bothrops asper Phospholipase A2 homolog 4
MBS1149594-01Recombinant Bothrops asper Phospholipase A2 homolog 4a

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