LYN-1604 hydrochloride - 10mM in DMSO , CAS No.2088939-99-3

CAS: 2088939-99-3 Cat. No.: L422534 Molecular Weight: 657.54

GRADE & PURITY 10mM in DMSO

Synonyms

UA3-02 hydrochloride, 1-(4-(2-(2,4-Dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl)piperazin-1-yl)-2-(diisobutylamino)ethanone hydrochloride, 2-[bis(2-Methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(2-naphthalenylmethoxy)ethyl]-1-piperazinyl]-ethanone

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

UA3-02 hydrochloride, 1-(4-(2-(2, 4-Dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl)piperazin-1-yl)-2-(diisobutylamino)ethanone hydrochloride, 2-[bis(2-Methylpropyl)amino]-1-[4-[2-(2, 4-dichlorophenyl)-2-(2-naphthalenylmethoxy)ethyl]-1-piperazinyl]-ethanone

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

LYN-1604 is a potent ULK1 (UNC-51-like kinase 1; Autophagy-related protein 1 homolog) activator (EC50 = 18.94 nM; 1.96-fold activation at 100 nM) that induces ULK complex (ULK1-mATG13-FIP200-ATG101)-dependent death in the triple-negative breast cancer (TN

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

• Canonical Smiles: CC(C)CN(CC(C)C)CC(=O)N1CCN(CC1)CC(C2=C(C=C(C=C2)Cl)Cl)OCC3=CC4=CC=CC=C4C=C3
• IUPAC Name: 2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone
• InChIKey: DVNVYWLKGWAELS-UHFFFAOYSA-N
• INCHI: 1S/C33H43Cl2N3O2/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3
• Isomeric SMILES: CC(C)CN(CC(C)C)CC(=O)N1CCN(CC1)CC(C2=C(C=C(C=C2)Cl)Cl)OCC3=CC4=CC=CC=C4C=C3
• Molecular Weight: 657.54
• Reaxy-Rn: 31025207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31025207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alpha amino acids and derivatives Benzylethers Dichlorobenzenes N-alkylpiperazines Aralkylamines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Alpha-amino acid or derivatives - Benzylether - 1,3-dichlorobenzene - Aralkylamine - N-alkylpiperazine - Halobenzene - Chlorobenzene - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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 (2 Activities)

Discover Target: ULK1

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

MDA-MB-231 (73002 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 584.600 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 583.273 Da
• Monoisotopic Mass: 583.273 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 750.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1