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(E/Z) -Raphin1

CAT: 0804-HY-123960B-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123960B-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E/Z) -Raphin1 is an inhibitor of PPP1R15B, a regulatory subunit of protein phosphatase 1. (E/Z) -Raphin1 is orally available and can cross the blood-brain barrier. (E/Z) -Raphin1 can be used in neurological research[1].
CAS Number
94023-67-3
UNSPSC
12352005
Hazard Statement
H302-H312-H315-H319-H332-H335
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/e-z-raphin1.html
Smiles
ClC1=C(Cl)C(/C=N/NC(N)=N)=CC=C1
Molecular Formula
C8H8Cl2N4
Molecular Weight
231.08
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501
References & Citations
[1]Krzyzosiak A, et al. Target-Based Discovery of an Inhibitor of the Regulatory Phosphatase PPP1R15B. Cell. 2018 Aug 23;174 (5) :1216-1228.e19.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-((2,3-Dichlorophenyl)methylene)carbazamidine
CAS Number94023-67-3
PubChem CID9560222
IUPAC Name2-[(E)-(2,3-dichlorophenyl)methylideneamino]guanidine
Molecular FormulaC8H8Cl2N4
Molecular Weight231.08
XLogP1.7
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity237
SMILES
C1=CC(=C(C(=C1)Cl)Cl)/C=N/N=C(N)N
InChI
InChI=1S/C8H8Cl2N4/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKey
WLTSTDGGFCQWTK-YIXHJXPBSA-N
Chemical Structure
2D Structure
2D structure of 3-((2,3-Dichlorophenyl)methylene)carbazamidine
CAS: 94023-67-3
CID: 9560222
Formula: C8H8Cl2N4
MW: 231.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.08
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass230.0126017
Monoisotopic Mass230.0126017
Topological Polar Surface Area76.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity237
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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