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Boc-Asp (OBzl) -CMK

CAT: 0013-GTR19236468-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236468-01Size:50 mg
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Description
Boc-Asp (OBzl) -CMK is a caspase-1 (ICE) inhibitor that blocks IL-1β maturation and release. It has demonstrated protective effects against cell death in CHP100 neuroblastoma models in vitro, making it a useful tool for studying pyroptosis and inflammatory pathways in cellular research.
CAS Number
172702-58-8
Field of Research
Cell Biology, Protein Biochemistry
Smiles
[C@@H] (CC (OCC1=CC=CC=C1) =O) (NC (OC (C) (C) C) =O) C (CCl) =O
Molecular Formula
C17H22ClNO5
Molecular Weight
355.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CAS Number172702-58-8
PubChem CID7020821
IUPAC Namebenzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
Molecular FormulaC17H22ClNO5
Molecular Weight355.8
XLogP2.7
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count24
Formal Charge0
Complexity441
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)CCl
InChI
InChI=1S/C17H22ClNO5/c1-17(2,3)24-16(22)19-13(14(20)10-18)9-15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKey
BKSBJYSNALKVEA-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of benzyl (3S)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CAS: 172702-58-8
CID: 7020821
Formula: C17H22ClNO5
MW: 355.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.8
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass355.1186505
Monoisotopic Mass355.1186505
Topological Polar Surface Area81.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity441
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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