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Suc-YVAD-pNA

CAT: 0804-HY-P2630Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P2630Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Suc-YVAD-pNA is a substrate of ICE. Interleukin-1β-converting enzyme (ICE) is a cysteine protease responsible for the cleavage of pre-interleukin-1β (pre-IL-1β) to the mature cytokine and a member of a family of related proteases (the caspases) [1].
CAS Number
208264-84-0
UNSPSC
12352209
Target
Interleukin Related
Type
Peptides
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/suc-yvad-pna.html
Solubility
10 mM in DMSO
Smiles
OC(C=C1)=CC=C1C[C@H](NC(CCC(O)=O)=O)C(N[C@@H](C(C)C)C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(NC2=CC=C(C=C2)[N+]([O-])=O)=O)=O)=O)=O
Molecular Formula
C31H38N6O12
Molecular Weight
686.67
References & Citations
[1]N Margolin, et al. Substrate and inhibitor specificity of interleukin-1 beta-converting enzyme and related caspases. J Biol Chem. 1997 Mar 14;272 (11) :7223-8.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Suc-tyr-val-ala-asp-pna
CAS Number208264-84-0
PubChem CID90471008
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-(4-nitroanilino)-4-oxobutanoic acid
Molecular FormulaC31H38N6O12
Molecular Weight686.7
XLogP0.7
Topological Polar Surface Area286
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Heavy Atom Count49
Formal Charge0
Complexity1210
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CCC(=O)O
InChI
InChI=1S/C31H38N6O12/c1-16(2)27(36-30(46)22(34-24(39)12-13-25(40)41)14-18-4-10-21(38)11-5-18)31(47)32-17(3)28(44)35-23(15-26(42)43)29(45)33-19-6-8-20(9-7-19)37(48)49/h4-11,16-17,22-23,27,38H,12-15H2,1-3H3,(H,32,47)(H,33,45)(H,34,39)(H,35,44)(H,36,46)(H,40,41)(H,42,43)/t17-,22-,23-,27-/m0/s1
InChIKey
APPSYVHVOCTIDH-ZBBFOALVSA-N
Chemical Structure
2D Structure
2D structure of Suc-tyr-val-ala-asp-pna
CAS: 208264-84-0
CID: 90471008
Formula: C31H38N6O12
MW: 686.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight686.7
XLogP30.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count17
Exact Mass686.25477067
Monoisotopic Mass686.25477067
Topological Polar Surface Area286 Ų
Heavy Atom Count49
Formal Charge0
Complexity1210
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