BL-918 - 10mM in DMSO , CAS No.2101517-69-3

CAS: 2101517-69-3 Cat. No.: B422553 Formula: C₂₃H₁₅F₈N₃OS Peso molecolare: 533.44 Numero EC: 825-946-9

QUALITÀ & PUREZZA 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

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)

Specifiche

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ACTIVATOR

Nomi e identificatori

Pubchem Sid

528763450

Sorrisi canonici

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

Isomeri 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

Peso molecolare

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
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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