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(E/Z) -Icerguastat

CAT: 0804-HY-18956-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18956-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E/Z) -Icerguastat ((E/Z) -Sephin1) is a selective inhibitor of the phosphatase regulatory subunit PPP1R15A (R15A) . (E/Z) -Icerguastat can be used for protein misfolding diseases research[1].
CAS Number
13098-73-2
Product Name Alternative
(E/Z) -Sephin1; (E/Z) -IFB-088
UNSPSC
12352005
Hazard Statement
H302, H312, H315, H319, H332, H335
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/e-z-icerguastat.html
Concentration
10mM
Purity
99.44
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ClC1=CC=CC=C1/C=N/NC(N)=N
Molecular Formula
C8H9ClN4
Molecular Weight
196.64
Precautions
H302, H312, H315, H319, H332, H335
References & Citations
[1]Das I, et al. Preventing proteostasis diseases by selective inhibition of a phosphatase regulatory subunit. Science. 2015 Apr 10;348 (6231) :239-42.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Icerguastat

Icerguastat is an organic molecular entity. It has a role as an inhibitor.

CAS Number13098-73-2
PubChem CID9561611
IUPAC Name2-[(E)-(2-chlorophenyl)methylideneamino]guanidine
Molecular FormulaC8H9ClN4
Molecular Weight196.64
XLogP1.1
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity210
SMILES
C1=CC=C(C(=C1)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
InChIKey
PDWJALXSRRSUHR-LFYBBSHMSA-N
Chemical Structure
2D Structure
2D structure of Icerguastat
CAS: 13098-73-2
CID: 9561611
Formula: C8H9ClN4
MW: 196.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.64
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass196.0515740
Monoisotopic Mass196.0515740
Topological Polar Surface Area76.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity210
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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