BL-918 - ≥99% , CAS No.2101517-69-3

CAS: 2101517-69-3 Cat. No.: B412568 Summenformel: C₂₃H₁₅F₈N₃OS Molekulargewicht: 533.44 EG-Nummer: 825-946-9

QUALITÄT & REINHEIT ≥99%

Synonyms

MFCD31693829 | (alphaR)-alpha-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-(2,4-difluorophenyl)benzeneacetamide | AKOS040759368 | 7L84SG8RV6 | BL 918 - Bio-X | D81630 | HY-124729 | EN300-1725989 | BL 918 | EX-A3463 | BDBWQANRZRCMMD-LJQAN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

BL-918 BL-918 is a potent, orally active activator of UNC-51-like kinase 1 (ULK1) with EC50 of 24.14 nM and Kd of 0.719 μM. BL-918 induces cytoprotective autophagy for Parkinson's disease treatment.

Targets

ULK1 (Cell-free assay); ULK1 (Cell-free assay) 24.14 nM(EC50); 0.719 μM(Kd)

Spezifikationen

Synonyme

MFCD31693829 | (alphaR)-alpha-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-(2,4-difluorophenyl)benzeneacetamide | AKOS040759368 | 7L84SG8RV6 | BL 918 - Bio-X | D81630 | HY-124729 | EN300-1725989 | BL 918 | EX-A3463 | BDBWQANRZRCMMD-LJQAN

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

BL-918 is a potent, orally active activator of UNC-51-like kinase 1 (ULK1) with EC50 of 24.14 nM and Kd of 0.719 μM. BL-918 induces cytoprotective autophagy for Parkinson's disease treatment.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504773611

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773611

Kanonisches Lächeln

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

IUPAC Name

(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide

InChIKey

BDBWQANRZRCMMD-LJQANCHMSA-N

INCHI

1S/C23H15F8N3OS/c24-15-6-7-18(17(25)11-15)33-20(35)19(12-4-2-1-3-5-12)34-21(36)32-16-9-13(22(26,27)28)8-14(10-16)23(29,30)31/h1-11,19H,(H,33,35)(H2,32,34,36)/t19-/m1/s1

Isomere SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Molekulargewicht

533.44

Reaxy-Rn

56497606

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56497606&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Trifluoromethylbenzenes Phenylacetamides Anilides N-arylamides Fluorobenzenes N-acyl amines Vinyl fluorides Fluoroalkenes Carboxylic acid amides Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Trifluoromethylbenzene - Phenylacetamide - Anilide - N-arylamide - Halobenzene - Fluorobenzene - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Carboxamide group - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 100 mg/mL (187.46 mM); Ethanol: 100 mg/mL (187.46 mM); Water: Insoluble
• Molekulargewicht: 533.400 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 533.081 Da
• Monoisotopic Mass: 533.081 Da
• Topological Polar Surface Area: 85.300 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 737.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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