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Raphin1

CAT: 0804-HY-123960-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123960-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Raphin1 is an orally bioavailable, selective inhibitor of the regulatory phosphatase PPP1R15B (R15B) . Raphin1 binds strongly to the R15B-PP1c holophosphatase (Kd=33 nM), and shows ~30-fold selective in binding R15B-PP1c over R15A-PP1c. Raphin1 crosses the blood-brain barrier, and reduces organismal and molecular deficits in a mouse model of a protein misfolding disease[1].
CAS Number
2022961-17-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/raphin1.html
Purity
99.75
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
N=C(N/N=C/C1=CC=CC(Cl)=C1Cl)N
Molecular Formula
C8H8Cl2N4
Molecular Weight
231.08
Precautions
H302, H315, H319, H335
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Citation 01
Nat Commun. 2024 Aug 9;15 (1) :6810.|bioRxiv. 2024 Feb 5.|Nature. 2023 Sep;621 (7977) :188-195.

Chemical Information

3-((2,3-Dichlorophenyl)methylene)carbazamidine
CAS Number2022961-17-5
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: 2022961-17-5
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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