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

CAS: 2022961-17-5 Cat. No.: R287653 Formule: C₈H₈Cl₂N₄ Poids moléculaire: 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

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Application

Raphin1 est un inhibiteur sélectif, biodisponible par voie orale, de R15B (PPP1R15B, sous-unité régulatrice de la protéine phosphatase 1). Raphin1 se lie fortement à l'holophosphatase R15B-PP1c avec un Kd de 33 nM.

Specifications

Synonymes

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

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Inhibiteur de la sous-unité régulatrice PPP1R15B de la protéine phosphatase (Kd= 33 nM). Présente une sélectivité >30 fois pour PPP1R15B par rapport à PPP1R15A. Inhibe la déphosphorylation médiée par PPP1R15B et la synthèse des protéines in vitro. Induit

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504764818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764818
• Sourires canoniques: 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+
• Isomères SMILES: C1=CC(=C(C(=C1)Cl)Cl)/C=N/N=C(N)N
• PubChem CID: 9560222
• Poids moléculaire: 231.08

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 23.11, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 11.55, Max Conc. mM: 50
• Poids moléculaire: 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

Références

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]

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2022961-17-5, the molecular formula is C8H8Cl2N4, and the molecular weight is 231.08 g/mol. InChIKey WLTSTDGGFCQWTK-YIXHJXPBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.