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Q-VD (OMe) -OPh

CAT: 0804-HY-167707Size: 1 EachDry Ice: NoHazardous: No
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Description
Q-VD (OMe) -OPh is a broad-spectrum caspase inhibitor with high activity in inhibiting apoptosis. Q-VD (OMe) -OPh is not toxic to cells at high concentrations, demonstrating its safety. Q-VD (OMe) -OPh exhibits comparable effectiveness to other widely used inhibitors in preventing apoptosis mediated by caspase 9/3, caspase 8/10, and caspase 12[1].
CAS Number
402592-44-3
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/q-vd-ome-oph.html
Smiles
FC(C=CC=C1F)=C1OCC([C@H](CC(OC)=O)NC([C@H](C(C)C)NC(C2=NC3=C(C=CC=C3)C=C2)=O)=O)=O
Molecular Formula
C27H27F2N3O6
Molecular Weight
527.52
References & Citations
[1]Q-VD-OPh, a broad spectrum caspase inhibitor with potent antiapoptotic properties
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Q-VD(OMe)-OPh
CAS Number402592-44-3
PubChem CID25108752
IUPAC Namemethyl (3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoate
Molecular FormulaC27H27F2N3O6
Molecular Weight527.5
XLogP4
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity834
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)COC1=C(C=CC=C1F)F)NC(=O)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C27H27F2N3O6/c1-15(2)24(32-26(35)20-12-11-16-7-4-5-10-19(16)30-20)27(36)31-21(13-23(34)37-3)22(33)14-38-25-17(28)8-6-9-18(25)29/h4-12,15,21,24H,13-14H2,1-3H3,(H,31,36)(H,32,35)/t21-,24-/m0/s1
InChIKey
ZZIXRXQNWVEGPY-URXFXBBRSA-N
Chemical Structure
2D Structure
2D structure of Q-VD(OMe)-OPh
CAS: 402592-44-3
CID: 25108752
Formula: C27H27F2N3O6
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass527.18679191
Monoisotopic Mass527.18679191
Topological Polar Surface Area124 Ų
Heavy Atom Count38
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count2
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

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