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Ac-PAL-AMC

CAT: 0804-HY-123052-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123052-01Size:1 mg
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Description
Ac-PAL-AMC is a fluorogenic substrate specific for 20S proteasome LMP2/β1i activity[1].
CAS Number
1431362-79-6
UNSPSC
12352005
Target
Proteasome
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ac-pal-amc.html
Purity
99.9
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C)C[C@@H](C(NC1=CC=C(C(O2)=C1)C(C)=CC2=O)=O)NC([C@H](C)NC([C@H]3N(C(C)=O)CCC3)=O)=O
Molecular Formula
C26H34N4O6
Molecular Weight
498.57
References & Citations
[1]Basler M, et al. Why the structure but not the activity of the immunoproteasome subunit low molecular mass polypeptide 2 rescues antigen presentation. J Immunol. 2012 Aug 15;189 (4) :1868-77.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ac-PAL-AMC
CAS Number1431362-79-6
PubChem CID137700547
IUPAC Name(2S)-1-acetyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC26H34N4O6
Molecular Weight498.6
XLogP1.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity916
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C
InChI
InChI=1S/C26H34N4O6/c1-14(2)11-20(25(34)28-18-8-9-19-15(3)12-23(32)36-22(19)13-18)29-24(33)16(4)27-26(35)21-7-6-10-30(21)17(5)31/h8-9,12-14,16,20-21H,6-7,10-11H2,1-5H3,(H,27,35)(H,28,34)(H,29,33)/t16-,20-,21-/m0/s1
InChIKey
BWJPVHDZSJFFDM-NDXORKPFSA-N
Chemical Structure
2D Structure
2D structure of Ac-PAL-AMC
CAS: 1431362-79-6
CID: 137700547
Formula: C26H34N4O6
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass498.24783482
Monoisotopic Mass498.24783482
Topological Polar Surface Area134 Ų
Heavy Atom Count36
Formal Charge0
Complexity916
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