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Z-WEHD-FMK

CAT: 0607-A1924-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A1924-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Caspase 5 inhibitor,potent,cell-permeable and irreversible
CAS Number
210345-00-9
Product Name Alternative
methyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoate
Sequence
Z-Trp-Glu(OMe)-His-Asp(OMe)-FMK
Field of Research
Apoptosis Caspase Proteases Caspase
Purity
0.98
Solubility
insoluble in H2O; ≥26.32 mg/mL in EtOH with ultrasonic; ≥46.33 mg/mL in DMSO
Smiles
COC(=O)CCC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4
Molecular Formula
C37H42FN7O10
Molecular Weight
763.77
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Z-Wehd-fmk
CAS Number210345-00-9
PubChem CID25108687
IUPAC Namemethyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoate
Molecular FormulaC37H42FN7O10
Molecular Weight763.8
XLogP2
Topological Polar Surface Area240
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Heavy Atom Count55
Formal Charge0
Complexity1330
SMILES
COC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C37H42FN7O10/c1-53-32(47)13-12-27(34(49)44-30(15-24-19-39-21-41-24)36(51)43-28(31(46)17-38)16-33(48)54-2)42-35(50)29(14-23-18-40-26-11-7-6-10-25(23)26)45-37(52)55-20-22-8-4-3-5-9-22/h3-11,18-19,21,27-30,40H,12-17,20H2,1-2H3,(H,39,41)(H,42,50)(H,43,51)(H,44,49)(H,45,52)/t27-,28-,29-,30-/m0/s1
InChIKey
NLZNSSWGRVBWIX-KRCBVYEFSA-N
Chemical Structure
2D Structure
2D structure of Z-Wehd-fmk
CAS: 210345-00-9
CID: 25108687
Formula: C37H42FN7O10
MW: 763.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight763.8
XLogP32
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Exact Mass763.29771872
Monoisotopic Mass763.29771872
Topological Polar Surface Area240 Ų
Heavy Atom Count55
Formal Charge0
Complexity1330
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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