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Z-AEVD-FMK

CAT: 0931-T36331-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T36331-01Size:500 µg
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CAS Number
1135688-47-9
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Z-AEVD-FMK (Z-Ala-Glu-Val-Asp-Fluoromethyl Ketone) is a degradable ADC linker and caspase-10 inhibitor, reducing TNF-α/butyrate-induced apoptosis, and inhibiting Gal-9-induced apoptosis.
Smiles
[C@H](C(N[C@H](C(N[C@@H](CC(OC)=O)C(CF)=O)=O)C(C)C)=O)(NC([C@@H](NC(OCC1=CC=CC=C1)=O)C)=O)CCC(OC)=O
Molecular Formula
C28H39FN4O10
Molecular Weight
610.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Z-Aevd-fmk
CAS Number1135688-47-9
PubChem CID25108694
IUPAC Namemethyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate
Molecular FormulaC28H39FN4O10
Molecular Weight610.6
XLogP1.4
Topological Polar Surface Area195
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count43
Formal Charge0
Complexity987
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C28H39FN4O10/c1-16(2)24(27(39)32-20(21(34)14-29)13-23(36)42-5)33-26(38)19(11-12-22(35)41-4)31-25(37)17(3)30-28(40)43-15-18-9-7-6-8-10-18/h6-10,16-17,19-20,24H,11-15H2,1-5H3,(H,30,40)(H,31,37)(H,32,39)(H,33,38)/t17-,19-,20-,24-/m0/s1
InChIKey
CHZRBQFKZDGMTP-CDSYHYPYSA-N
Chemical Structure
2D Structure
2D structure of Z-Aevd-fmk
CAS: 1135688-47-9
CID: 25108694
Formula: C28H39FN4O10
MW: 610.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight610.6
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass610.26502162
Monoisotopic Mass610.26502162
Topological Polar Surface Area195 Ų
Heavy Atom Count43
Formal Charge0
Complexity987
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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