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PD150606

CAT: 0804-HY-100529-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-100529-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PD 150606 is a selective, cell-permeable non-peptide calpain inhibitor with Ki values of 0.21 μM and 0.37 μM for μ- and m-calpains respectively, which is neuroprotective[1].
CAS Number
179528-45-1
UNSPSC
12352005
Hazard Statement
H301, H315, H317, H318, H335
Target
Proteasome
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/PD150606.html
Purity
98.61
Solubility
DMSO : ≥ 28 mg/mL
Smiles
O=C(O)/C(S)=C/C1=CC=C(I)C=C1
Molecular Formula
C9H7IO2S
Molecular Weight
306.12
Precautions
H301, H315, H317, H318, H335
References & Citations
[1]1. Wang KK et al. An alpha-mercaptoacrylic acid derivative is a selective nonpeptide cell-permeable calpain inhibitor and is neuroprotective. Proc Natl Acad Sci U S A. 1996 Jun 25;93 (13) :6687-92.|[2]2. Squier MK , et al. Calpain and calpastatin regulate neutrophil apoptosis. J Cell Physiol. 1999 Mar;178 (3) :311-9.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
T3525-01PD150606
TYD-04112-01PD150606-CoA
MBS131512PD150606 (PD 150606; PD-150606)

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