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Boc3Arg

CAT: 0804-HY-23020-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-23020-01Size:500 mg
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Description
Boc3Arg is the tert-butyl carbamate-protected arginine. Boc3Arg is an efficient tag to induce degradation through directly localizing the protein to the 20S proteasome[1][2].
CAS Number
108787-91-3
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Proteasome
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Purity
97.0
Solubility
DMSO : ≥ 200 mg/mL
Smiles
O=C(O)[C@H](CCC/N=C(NC(OC(C)(C)C)=O)/NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O
Molecular Formula
C21H38N4O8
Molecular Weight
474.55
Precautions
H302, H315, H319, H335
References & Citations
[1]Sun H, et al. Identification of Boc2Lys-Linked Ethacrynic Acid and Its Analogues As Efficient Glutathione S-Transferase Degraders. ACS Med Chem Lett. 2024 Oct 14;15 (11) :1852-1859.|[2]Marcus J.C. Long, et al. Inhibitor Mediated Protein Degradation. Chemistry & Biology. 2021, 19 (5) : 629-637.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Boc-arg(boc)2-OH
CAS Number108787-91-3
PubChem CID11385959
IUPAC Name(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC21H38N4O8
Molecular Weight474.5
XLogP4
Topological Polar Surface Area165
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity698
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C21H38N4O8/c1-19(2,3)31-16(28)23-13(14(26)27)11-10-12-22-15(24-17(29)32-20(4,5)6)25-18(30)33-21(7,8)9/h13H,10-12H2,1-9H3,(H,23,28)(H,26,27)(H2,22,24,25,29,30)/t13-/m0/s1
InChIKey
BGOFOVHACSQSIE-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Boc-arg(boc)2-OH
CAS: 108787-91-3
CID: 11385959
Formula: C21H38N4O8
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP34
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass474.26896418
Monoisotopic Mass474.26896418
Topological Polar Surface Area165 Ų
Heavy Atom Count33
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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