Sephin-1 - ≥98% , CAS No.951441-04-6

CAS: 951441-04-6 Cat. No.: S413430 Formule: C₈H₉ClN₄ Poids moléculaire: 196.64 Numéro CE: 110-130-0

GRADE & PURITY ≥98%

Synonyms

AKOS001595395 | Icerguastat | SCHEMBL5460773 | 2-[(E)-(2-Chlorophenyl)methylideneamino]guanidine | NSC-118376 | EINECS 228-186-0 | Hydrazinecarboximidamide, 2-((2-chlorophenyl)methylene)- | NSC 65390 | Quinine hydrochloride hydrate | 2-((2-Chlorophenyl)me

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Sephin-1 Sephin-1 (NSC-65390) is a selective inhibitor of a holophosphatase , a small molecule that safely and selectively inhibits a regulatory subunit of protein phosphatase 1 in vivo. Sephin-1 (NSC-65390) selectively bounds and inhibits the stress-induced PPP1R15A.

Targets

holophosphatase

Specifications

Synonymes

AKOS001595395 | Icerguastat | SCHEMBL5460773 | 2-[(E)-(2-Chlorophenyl)methylideneamino]guanidine | NSC-118376 | EINECS 228-186-0 | Hydrazinecarboximidamide, 2-((2-chlorophenyl)methylene)- | NSC 65390 | Quinine hydrochloride hydrate | 2-((2-Chlorophenyl)me

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Sephin-1 (NSC-65390) is a selective inhibitor of a holophosphatase, a small molecule that safely and selectively inhibits a regulatory subunit of protein phosphatase 1 in vivo. Sephin-1 (NSC-65390) selectively bounds and inhibits the stress-induced PPP1R1

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504764821

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764821

Sourires canoniques

C1=CC=C(C(=C1)C=NN=C(N)N)Cl

IUPAC Name

2-[(E)-(2-chlorophenyl)methylideneamino]guanidine

InChIKey

PDWJALXSRRSUHR-LFYBBSHMSA-N

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+

Isomères SMILES

C1=CC=C(C(=C1)/C=N/N=C(N)N)Cl

CAS alternatif

1883549-35-6

Numéro ONU

2811

Groupe d'emballage

III

Poids moléculaire

196.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Guanidines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - 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 chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 39 mg/mL (198.33 mM); Ethanol: 39 mg/mL (198.33 mM); Water: Insoluble
• Sensibilité: light sensitive
• Poids moléculaire: 196.640 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.052 Da
• Monoisotopic Mass: 196.052 Da
• Topological Polar Surface Area: 76.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 210.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 951441-04-6, the molecular formula is C8H9ClN4, and the molecular weight is 196.64 g/mol. InChIKey PDWJALXSRRSUHR-LFYBBSHMSA-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.