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

CAS: 2101517-69-3 Cat. No.: B422553 Formula: C₂₃H₁₅F₈N₃OS Molecular Weight: 533.44 EC Number: 825-946-9

GRADE & PURITY 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

Overview

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)

Specifications

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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 -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Names and Identifiers

Pubchem Sid

528763450

Canonical Smiles

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

Isomeric 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

Molecular Weight

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
    • Class 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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