PIT-1 - ≥98% , CAS No.53501-41-0

CAS: 53501-41-0 Cat. No.: P274802 Fórmula: C₁₄H₁₀ClN₃O₄S Peso molecular: 351.76 Número CE: 694-704-0 PubChem CID: 3664359

GRADE & PURITY ≥98%

Synonyms

BDBM112784 | RIGXBXPAOGDDIG-UHFFFAOYSA-N | N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide | N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide | BIM-0008258.P001 | HY-103224 | STL043906 | SCHEMBL9289577 | DTXSID20394812 | AKOS0407

Storage

Protegido da luz,Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

BDBM112784 | RIGXBXPAOGDDIG-UHFFFAOYSA-N | N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide | N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide | BIM-0008258.P001 | HY-103224 | STL043906 | SCHEMBL9289577 | DTXSID20394812 | AKOS0407

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Inibidor da ligação PIP3/proteína. Interrompe especificamente a ligação do domínio PH PIP3/Akt (IC 50 = 31 μM); suprime a fosforilação dependente de PI3K-PDK1-Akt. Reduz a viabilidade celular e induz a apoptose em células de glioblastoma U87MG deficientes

Condições de armazenamento de armazenamento

Protegido da luz,Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488194501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194501
• Sorrisos canónicos: C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O
• IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
• InChIKey: RIGXBXPAOGDDIG-UHFFFAOYSA-N
• INCHI: 1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)
• SMILES isoméricas: C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O
• PubChem CID: 3664359
• Peso molecular: 351.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl-phenylthioureas
• Alternative Parents: Nitrophenols Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds O-chlorophenols Chlorobenzenes Aryl chlorides Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organooxygen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-phenylthiourea - Nitrophenol - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Thiourea - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
• 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

Alvos associados (humanos)

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

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

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 20 mg/ml and in ethanol to 0.5 mg/ml
• Sensibilidade: Light sensitive
• Peso molecular: 351.800 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 351.008 Da
• Monoisotopic Mass: 351.008 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 467.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 53501-41-0, the molecular formula is C14H10ClN3O4S, and the molecular weight is 351.76 g/mol. InChIKey RIGXBXPAOGDDIG-UHFFFAOYSA-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.