SBP-7455 - Moligand™, ≥95% , Inhibitor of unc-51 like autophagy activating kinase 1;Inhibitor of unc-51 like autophagy activating kinase 2, CAS No.1884222-74-5, Inhibitor of unc-51 like autophagy activating kinase 1;Inhibitor of unc-51 like autophagy activating kinase 2

CAS: 1884222-74-5 Cat. No.: S412916 Molecular Weight: 354.33 PubChem CID: 132178569

GRADE & PURITY Moligand™, ≥95%

Synonyms

2,​4-​Pyrimidinediamine,N4-​cyclopropyl-​N2-​(3,​4-​dimethoxyphenyl)​-​5-​(trifluoromethyl)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

SBP-7455 (compound 26) is a dual inhibitor of ULK1 and ULK2 that potently inhibits ULK1/2 enzymatic activity in vitro and in vivo. SBP-7455 inhibits starvation-induced autophagic flux in TNBC cells.

Specifications

Synonyms

2, ​4-​Pyrimidinediamine, N4-​cyclopropyl-​N2-​(3, ​4-​dimethoxyphenyl)​-​5-​(trifluoromethyl)​-

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

SBP-7455 is a dual-Specific ULK1/2 autophagy inhibitor with IC50s of 13 nM and 476 nM for ULK1 and ULK2 in ADP-Glo assay, respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of unc-51 like autophagy activating kinase 1;Inhibitor of unc-51 like autophagy activating kinase 2

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504773107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773107
• Canonical Smiles: COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C(F)(F)F)OC
• IUPAC Name: 4-N-cyclopropyl-2-N-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• InChIKey: BQROJYIEHOOQBY-UHFFFAOYSA-N
• INCHI: 1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)
• Isomeric SMILES: COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C(F)(F)F)OC
• PubChem CID: 132178569
• Molecular Weight: 354.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Phenoxy compounds Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Anisole - Secondary aliphatic/aromatic amine - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Associated Targets(Human)

ULK1 Tchem Serine/threonine-protein kinase ULK1 (1 Activities)

Discover Target: ULK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ULK2 Tchem Serine/threonine-protein kinase ULK2 (0 Activities)

Discover Target: ULK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MDA-MB-468 (9477 Activities)

Explore this target

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

ULK2 Tchem Serine/threonine-protein kinase ULK2 (652 Activities)

Discover Target: ULK2

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 354.330 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 354.13 Da
• Monoisotopic Mass: 354.13 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 436.000
• 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