SF1126 - ≥98% , Serine/threonine-protein kinase mTOR inhibitor, CAS No.936487-67-1, Serine/threonine-protein kinase mTOR inhibitor

CAS: 936487-67-1 Cat. No.: S339028 Formule: C₃₉H₄₈N₈O₁₄ Poids moléculaire: 852.84

GRADE & PURITY ≥98%

Synonyms

SF1126 | EX-A5997 | SF-1126 INNER SALT | SF 1126 | Q27276459 | SCHEMBL15668089 | 936487-67-1 | BDBM50507755 | CHEMBL2326966 | SF-1126 | (8S,14S,17S)-14-(carboxymethyl)-8-(3-guanidinopropyl)-17-(hydroxymethyl)-3,6,9,12,15-pentaoxo-1-(4-(4-oxo-8-phenyl-4H-c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

SF1126 is a water soluble, small-molecule prodrug containing the pan-PI3K/mTOR inhibitor LY294002/SF1101 conjugated to the RGD-containing tetra-peptide SF1174 with potential antineoplastic and antiangiogenic activities. The SF1126 is designed to remain stable at acidic pH (pH < 5) and to spontaneously hydrolyze at physiologic pH. The spontaneous cleavage of SF1126 is determined at pH 7.0|in vitro|. SF1126 selectively binds to cell surface integrins and, upon cell entry, the agent is hydrolyzed to the active drug SF1101. By inhibiting the PI3K signaling pathway, this agent may inhibit tumor cell and tumor endothelial cell proliferation and survival.

Specifications

Synonymes

SF1126 | EX-A5997 | SF-1126 INNER SALT | SF 1126 | Q27276459 | SCHEMBL15668089 | 936487-67-1 | BDBM50507755 | CHEMBL2326966 | SF-1126 | (8S,14S,17S)-14-(carboxymethyl)-8-(3-guanidinopropyl)-17-(hydroxymethyl)-3,6,9,12,15-pentaoxo-1-(4-(4-oxo-8-phenyl-4H-c

Spécifications et pureté

≥98%

Conditions de stockage de stockage

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.

Type d'action

INHIBITOR

Mécanisme d'action

Serine/threonine-protein kinase mTOR inhibitor

Pureté

≥98%

Propriétés du produit

• pKa: pKₐ: 2.85 (Predicted), pKₐ: 13.35 (Predicted)
• ALogP: -1.5

Noms et identifiants

• Sourires canoniques: C1COCC[N+]1(COC(=O)CCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)[O-])C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
• IUPAC Name: (2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoate
• InChIKey: SVNJBEMPMKWDCO-KCHLEUMXSA-N
• INCHI: 1S/C39H48N8O14/c40-39(41)42-13-5-10-26(36(55)43-20-31(51)45-27(18-33(52)53)37(56)46-28(21-48)38(57)58)44-30(50)11-12-34(54)60-22-47(14-16-59-17-15-47)32-19-29(49)25-9-4-8-24(35(25)61-32)23-6-2-1-3-7-23/h1-4,6-9,19,26-28,48H,5,10-18,20-22H2,(H9-,40,41,42,43,44,45,46,50,51,52,53,55,56,57,58)/t26-,27-,28-/m0/s1
• Isomères SMILES: C1COCC[N+]1(COC(=O)CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)[O-])C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
• Poids moléculaire: 852.84
• Reaxy-Rn: 31693242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31693242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Aspartic acid and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Chromones Tricarboxylic acids and derivatives Pyranones and derivatives Beta hydroxy acids and derivatives Fatty acid esters Benzene and substituted derivatives N-acyl amines Morpholines Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acid salts Guanidines Dialkyl ethers Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Oxacyclic compounds Organic zwitterions Carbonyl compounds Organic salts Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Aspartic acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - Chromone - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Pyranone - Monocyclic benzene moiety - Fatty amide - Hydroxy acid - Morpholine - N-acyl-amine - Fatty acyl - Oxazinane - Pyran - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid - Oxacycle - Dialkyl ether - Ether - Azacycle - Alcohol - Organic zwitterion - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic salt - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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)

MCF7 (126967 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, and water.

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. Freezer storage is required to maintain the specified shelf life.

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 936487-67-1, the molecular formula is C39H48N8O14, and the molecular weight is 852.84 g/mol. InChIKey SVNJBEMPMKWDCO-KCHLEUMXSA-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.