Z-WEHD-FMK

CAT: 0931-TP2161-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TP2161-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

210345-00-9

Target

Caspase, Cysteine Protease

Related Pathways

Proteases/Proteasome, Apoptosis

Bioactivity

Z-WEHD-FMK is a cell-permeable and irreversible inhibitor of caspase-1/5. It also shows a robust inhibitory effect on cathepsin B activity (IC50: 6 μM) .

Smiles

COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF

Molecular Formula

C37H42FN7O10

Molecular Weight

763.78

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Z-Wehd-fmk

CAS Number	210345-00-9
PubChem CID	25108687
IUPAC Name	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
Molecular Formula	C37H42FN7O10
Molecular Weight	763.8
XLogP	2
Topological Polar Surface Area	240
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	23
Heavy Atom Count	55
Formal Charge	0
Complexity	1330

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

CAS: 210345-00-9

CID: 25108687

Formula: C37H42FN7O10

MW: 763.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	763.8
XLogP3	2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	23
Exact Mass	763.29771872
Monoisotopic Mass	763.29771872
Topological Polar Surface Area	240 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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A1924-10	Z-WEHD-FMK
A14916-25	Z-WEHD-FMK 25mg
A14916-1	Z-WEHD-FMK 1mg
A14916-50	Z-WEHD-FMK 50mg
A14916-10	Z-WEHD-FMK 10mg
A14916-5	Z-WEHD-FMK 5mg
ALX-260-140-R100	Z-WEHD-FMK (Ready-to-Use)
1100-100	Caspase-5 Inhibitor Z-WEHD-FMK
FMK002	Caspase-1/ICE fmk Inhibitor Z-WEHD
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Z-WEHD-FMK

Chemical Information

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