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Z-LEED-FMK

CAT: 0931-T76665-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T76665-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1135688-38-8
Target
Caspase
Related Pathways
Apoptosis, Proteases/Proteasome
Bioactivity
Z-LEED-FMK is a chemical compound that acts as an inhibitor for caspase-13 and caspase-4. Additionally, it impedes caspase-1 processing in S. typhimurium-infected macrophages [1] [2].
Smiles
COC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H](CC(=O)OC)C(=O)CF
Molecular Formula
C32H45FN4O12
Molecular Weight
696.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Z-Leed-fmk
CAS Number1135688-38-8
PubChem CID25108692
IUPAC Namemethyl (4S)-5-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-4-[[(2S)-5-methoxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoate
Molecular FormulaC32H45FN4O12
Molecular Weight696.7
XLogP1.6
Topological Polar Surface Area222
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Heavy Atom Count49
Formal Charge0
Complexity1150
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C32H45FN4O12/c1-19(2)15-24(37-32(45)49-18-20-9-7-6-8-10-20)31(44)35-21(11-13-26(39)46-3)29(42)34-22(12-14-27(40)47-4)30(43)36-23(25(38)17-33)16-28(41)48-5/h6-10,19,21-24H,11-18H2,1-5H3,(H,34,42)(H,35,44)(H,36,43)(H,37,45)/t21-,22-,23-,24-/m0/s1
InChIKey
JQWJGEBRHHCICO-ZJZGAYNASA-N
Chemical Structure
2D Structure
2D structure of Z-Leed-fmk
CAS: 1135688-38-8
CID: 25108692
Formula: C32H45FN4O12
MW: 696.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight696.7
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Exact Mass696.30180105
Monoisotopic Mass696.30180105
Topological Polar Surface Area222 Ų
Heavy Atom Count49
Formal Charge0
Complexity1150
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

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Alternative Products

CatalogName
GTR19035850-01Z-LEED-FMK
MBS655483-01Caspase 13 Inhibitor, In Vivo, 10mM, Z-LEED-FMK
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C2088-75Caspase 13 Inhibitor, Cell Culture, 2mM, Z-LEED-FMK discontinued
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