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Ac-VAD-CMK

CAT: 0804-HY-P10243Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P10243Size:1 Each
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Description
Ac-VAD-CMK is a pan inhibitor for caspase 1[1].
CAS Number
216008-80-9
UNSPSC
12352209
Target
Caspase
Type
Peptides
Related Pathways
Apoptosis
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ac-vad-cmk.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](C(C)C)C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(CCl)=O)=O)=O)C
Molecular Formula
C15H24ClN3O6
Molecular Weight
377.82
References & Citations
[1]Liu W, et al., Caspase inhibitors prevent cisplatin-induced apoptosis of auditory sensory cells. Neuroreport. 1998 Aug 3;9 (11) :2609-14.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Ac-VAD-CMK
CAS Number216008-80-9
PubChem CID10249040
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]amino]-5-chloro-4-oxopentanoic acid
Molecular FormulaC15H24ClN3O6
Molecular Weight377.82
XLogP-0.1
Topological Polar Surface Area142
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity537
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCl)NC(=O)[C@H](C(C)C)NC(=O)C
InChI
InChI=1S/C15H24ClN3O6/c1-7(2)13(18-9(4)20)15(25)17-8(3)14(24)19-10(5-12(22)23)11(21)6-16/h7-8,10,13H,5-6H2,1-4H3,(H,17,25)(H,18,20)(H,19,24)(H,22,23)/t8-,10-,13-/m0/s1
InChIKey
FQAKSMQTRMIPHS-FWDPORAESA-N
Chemical Structure
2D Structure
2D structure of Ac-VAD-CMK
CAS: 216008-80-9
CID: 10249040
Formula: C15H24ClN3O6
MW: 377.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.82
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass377.1353632
Monoisotopic Mass377.1353632
Topological Polar Surface Area142 Ų
Heavy Atom Count25
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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