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Calpeptin

CAT: 1568-C12660-02Size: 10 mM / 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C12660-02Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117591-20-5
SKU
C12660-10mg
Target
Cysteine Protease
Applications
Proteases
Smiles
CCCCC (C=O) NC (=O) C (CC (C) C) NC (=O) OCC1=CC=CC=C1
Molecular Formula
C20H30N2O4
Additionnal Information
Calpeptin is a potent, cell-permeable calpain inhibitor with ID50 of 52 nM, 34 nM, 138 nM, and 40 nM for Calpain I (porcine erythrocytes), Calpain II (porcine kidney), Papainb, and Calpain I (human platelets), respectively. Calpeptin attenuates apoptosis and intracellular inflammatory changes in muscle cells.
Storage Conditions
2 years -80 in solvent

Chemical Information

Calpeptin

Calpeptin is an amino acid amide.

CAS Number117591-20-5
PubChem CID73364
IUPAC Namebenzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamate
Molecular FormulaC20H30N2O4
Molecular Weight362.5
XLogP3.9
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity434
SMILES
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
InChIKey
PGGUOGKHUUUWAF-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Calpeptin
CAS: 117591-20-5
CID: 73364
Formula: C20H30N2O4
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass362.22055744
Monoisotopic Mass362.22055744
Topological Polar Surface Area84.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity434
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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