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Z-LEHD-FMK

CAT: 0607-B3233-.02Size: 20 µL (10 mM)Dry Ice: NoHazardous: No
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CAT#:0607-B3233-.02Size:20 µL (10 mM)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Irreversible Caspase-9 inhibitor.
CAS Number
210345-04-3
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)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate
Field of Research
Apoptosis Caspase Proteases Caspase
Purity
0.98
Solubility
insoluble in H2O; ≥107.4 mg/mL in DMSO; ≥98.2 mg/mL in EtOH
Smiles
CC(C)CC(C(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC2=CC=CC=C2
Molecular Formula
C32H43FN6O10
Molecular Weight
690.72
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Z-LEHD-fmk

caspase-9 inhibitor

CAS Number210345-04-3
PubChem CID10032582
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)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate
Molecular FormulaC32H43FN6O10
Molecular Weight690.7
XLogP1.6
Topological Polar Surface Area224
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Heavy Atom Count49
Formal Charge0
Complexity1140
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C32H43FN6O10/c1-19(2)12-24(39-32(46)49-17-20-8-6-5-7-9-20)30(44)36-22(10-11-27(41)47-3)29(43)38-25(13-21-16-34-18-35-21)31(45)37-23(26(40)15-33)14-28(42)48-4/h5-9,16,18-19,22-25H,10-15,17H2,1-4H3,(H,34,35)(H,36,44)(H,37,45)(H,38,43)(H,39,46)/t22-,23-,24-,25-/m0/s1
InChIKey
YXRKBEPGVHOXSV-QORCZRPOSA-N
Chemical Structure
2D Structure
2D structure of Z-LEHD-fmk
CAS: 210345-04-3
CID: 10032582
Formula: C32H43FN6O10
MW: 690.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight690.7
XLogP31.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Exact Mass690.30246975
Monoisotopic Mass690.30246975
Topological Polar Surface Area224 Ų
Heavy Atom Count49
Formal Charge0
Complexity1140
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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