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Z-DEVD-CMK

CAT: 0804-HY-W796158-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W796158-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Z-DEVD-CMK is an irreversible inhibitor of most of the cathepsins in vitro[1].
CAS Number
250584-13-5
UNSPSC
12352209
Target
Cathepsin
Type
Peptides
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/z-devd-cmk.html
Purity
98.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC([C@H](NC([C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CC(O)=O)=O)CCC(O)=O)=O)C(N[C@H](C(CCl)=O)CC(O)=O)=O)C
Molecular Formula
C27H35ClN4O12
Molecular Weight
643.04
References & Citations
[1]Rozman-Pungercar J, et al. Inhibition of papain-like cysteine proteases and legumain by caspase-specific inhibitors: when reaction mechanism is more important than specificity. Cell Death Differ. 2003 Aug;10 (8) :881-8.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

z-DEVD-cmk
CAS Number250584-13-5
PubChem CID9895697
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-1-carboxy-4-chloro-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC27H35ClN4O12
Molecular Weight643.0
XLogP0.2
Topological Polar Surface Area255
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCl)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C27H35ClN4O12/c1-14(2)23(26(42)30-17(10-21(36)37)19(33)12-28)32-24(40)16(8-9-20(34)35)29-25(41)18(11-22(38)39)31-27(43)44-13-15-6-4-3-5-7-15/h3-7,14,16-18,23H,8-13H2,1-2H3,(H,29,41)(H,30,42)(H,31,43)(H,32,40)(H,34,35)(H,36,37)(H,38,39)/t16-,17-,18-,23-/m0/s1
InChIKey
GRXANEWUMQJHCJ-ORQYLMBXSA-N
Chemical Structure
2D Structure
2D structure of z-DEVD-cmk
CAS: 250584-13-5
CID: 9895697
Formula: C27H35ClN4O12
MW: 643.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.0
XLogP30.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass642.1940003
Monoisotopic Mass642.1940003
Topological Polar Surface Area255 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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