PIT-1 - ≥98% , CAS No.53501-41-0

CAS: 53501-41-0 Cat. No.: P274802 分子式: C₁₄H₁₀ClN₃O₄S 分子量: 351.76 EC番号: 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

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Specifications

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

PIP3/protein binding inhibitor. Specifically disrupts PIP3/Akt PH domain binding (IC 50 = 31 μM); suppresses PI3K-PDK1-Akt-dependent phosphorylation. Reduces cell viability and induces apoptosis in PTEN-deficient U87MG glioblastoma cells (IC 50 = 37 μM).

保管条件

Protected from light,Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

• パブケム・シド: 488194501
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488194501
• カノニカル・スマイル: 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)
• 異性体SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O
• PubChem CID: 3664359
• 分子量: 351.76

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 20 mg/ml and in ethanol to 0.5 mg/ml
• 感度: Light sensitive
• 分子量: 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

よくある質問

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.