Raphin 1 - ≥98%(HPLC) , CAS No.2022961-17-5

CAS: 2022961-17-5 Cat. No.: R287653 Molecular Weight: 231.08 PubChem CID: 9560222

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-(2,3-Dichlorobenzylidene)hydrazine-1-carboximidamide | BDBM50545524 | 3-[(2,3-DICHLOROPHENYL)METHYLENE]CARBAZAMIDINE | EN300-25957086 | N-[(E)-[(2,3-dichlorophenyl)methylidene]amino]guanidine | Pyridine, 3-(2-pyrrolidinyl)-,(S)- | (E)-2-(2,3-Dichloroben

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Application

Raphin1 is an orally bioavailable, selective inhibitor of R15B (PPP1R15B, a regulatory subunit of protein phosphatase 1). Raphin1 binds strongly to the R15B-PP1c holophosphatase with Kd of 33 nM.

Specifications

Synonyms

2-(2, 3-Dichlorobenzylidene)hydrazine-1-carboximidamide | BDBM50545524 | 3-[(2, 3-DICHLOROPHENYL)METHYLENE]CARBAZAMIDINE | EN300-25957086 | N-[(E)-[(2, 3-dichlorophenyl)methylidene]amino]guanidine | Pyridine, 3-(2-pyrrolidinyl)-, (S)- | (E)-2-(2, 3-Dichloroben

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Inhibitor of the regulatory subunit PPP1R15B of protein phosphatase (Kd= 33 nM). Displays >30-fold selectivity for PPP1R15B over PPP1R15A. Inhibits PPP1R15B-mediated dephosphorylation and protein synthesisin vitro. Induces transient reduction in protein s

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764818
• Canonical Smiles: C1=CC(=C(C(=C1)Cl)Cl)C=NN=C(N)N
• IUPAC Name: 2-[(E)-(2,3-dichlorophenyl)methylideneamino]guanidine
• InChIKey: WLTSTDGGFCQWTK-YIXHJXPBSA-N
• 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+
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)Cl)/C=N/N=C(N)N
• PubChem CID: 9560222
• Molecular Weight: 231.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Guanidines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Guanidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PPP1R15A Tchem Protein phosphatase 1 regulatory subunit 15A (1 Activities)

Discover Target: PPP1R15A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPP1R15B Tchem Protein phosphatase 1 regulatory subunit 15B (1 Activities)

Discover Target: PPP1R15B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MELK Tchem Maternal embryonic leucine zipper kinase (3491 Activities)

Discover Target: MELK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

Discover Target: CGA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPP1R15A Tchem Protein phosphatase 1 regulatory subunit 15A (1 Activities)

Discover Target: PPP1R15A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 23.11, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 11.55, Max Conc. mM: 50
• Molecular Weight: 231.080 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.013 Da
• Monoisotopic Mass: 230.013 Da
• Topological Polar Surface Area: 76.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Ling Cheng, Ian Meliala, Yidi Kong, Jingyuan Chen, Christopher G Proud, Mikael Björklund.  (2025)  PEBP1 amplifies mitochondrial dysfunction-induced integrated stress response.  eLife,      [PMID:39878441] [10.7554/eLife.102852]