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PD150606

CAT: 0931-T3525-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T3525-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
179528-45-1
Target
Proteasome, Cysteine Protease
Related Pathways
Proteases/Proteasome, Ubiquitination
Purity
0.9819
Bioactivity
PD150606 is a selective nonpeptide calpain inhibitor with neuroprotective activity that inhibits μ-calpains and m-calpains. Inhibits erythrocyanine-induced Ca2+ efflux and interferes with excitotoxicity-dependent motor neuron death.
Smiles
OC(=O)C(\S)=C\c1ccc(I)cc1
Molecular Formula
C9H7IO2S
Molecular Weight
306.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2Z)-3-(4-Iodophenyl)-2-mercapto-2-propenoic acid

(Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid is an organoiodine compound that is acrylic acid in which the vinylic hydrogens at positions 2 and 3 are replaced by mercapto and 4-iodophenyl groups respectively (the Z geoisomer). It has a role as an apoptosis inhibitor and a calpain inhibitor. It is a member of cinnamic acids, an organoiodine compound and a thioenol. It is functionally related to a trans-cinnamic acid.

CAS Number179528-45-1
PubChem CID9839500
IUPAC Name(Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid
Molecular FormulaC9H7IO2S
Molecular Weight306.12
XLogP2.9
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity220
SMILES
C1=CC(=CC=C1/C=C(/C(=O)O)\S)I
InChI
InChI=1S/C9H7IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-
InChIKey
DJCVSFWGKYHMKH-YVMONPNESA-N
Chemical Structure
2D Structure
2D structure of (2Z)-3-(4-Iodophenyl)-2-mercapto-2-propenoic acid
CAS: 179528-45-1
CID: 9839500
Formula: C9H7IO2S
MW: 306.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.12
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass305.92115
Monoisotopic Mass305.92115
Topological Polar Surface Area38.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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