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(Rac) -PD 151746

CAT: 0804-HY-W409181Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W409181Size:1 Each
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Description
(Rac) -PD 151746 is the optically inactive racemate of PD 151746. PD 151746 is a neuroprotective calpain inhibitor with Ki values of 0.26 μM (u-calpain) and 5.33 μM (m-calpain), respectively[1].
CAS Number
179461-52-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Proteasome
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rac-pd-151746.html
Smiles
O=C(O)/C(S)=C/C1=CNC2=C1C=C(F)C=C2
Molecular Formula
C11H8FNO2S
Molecular Weight
237.25
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[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.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(Z)-3-(5-Fluoro-1H-indol-3-yl)-2-mercaptoacrylic acid
CAS Number179461-52-0
PubChem CID5353866
IUPAC Name(Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
Molecular FormulaC11H8FNO2S
Molecular Weight237.25
XLogP2.5
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity321
SMILES
C1=CC2=C(C=C1F)C(=CN2)/C=C(/C(=O)O)\S
InChI
InChI=1S/C11H8FNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-5,13,16H,(H,14,15)/b10-3-
InChIKey
HWMQHECFXSVZGN-KMKOMSMNSA-N
Chemical Structure
2D Structure
2D structure of (Z)-3-(5-Fluoro-1H-indol-3-yl)-2-mercaptoacrylic acid
CAS: 179461-52-0
CID: 5353866
Formula: C11H8FNO2S
MW: 237.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.25
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass237.02597783
Monoisotopic Mass237.02597783
Topological Polar Surface Area54.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity321
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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