CAY 10566 - ≥99% , CAS No.944808-88-2

CAS: 944808-88-2 Cat. No.: C275139 Summenformel: C₁₈H₁₇ClFN₅O₂ Molekulargewicht: 389.81

GRADE & PURITY ≥99%

Synonyms

3-[4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridazine | SCHEMBL2632280 | BDBM50371060 | AKOS027282702 | CAY10566 | 2-(6-(4-(2-chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole | AS-74348 |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyme

3-[4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridazine | SCHEMBL2632280 | BDBM50371060 | AKOS027282702 | CAY10566 | 2-(6-(4-(2-chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole | AS-74348 |

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Potent, selective SCD1 inhibitor (IC 50 values are 4.5 and 26 nM in mouse and human SCD1, respectively). Inhibits saturated, long-chain fatty acyl-CoAs conversion to monounsaturated, long-chain fatty acyl-CoAs (IC 50 values are 7.9 and 6.8 nM for heptadec

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl
• IUPAC Name: 2-[6-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3,4-oxadiazole
• InChIKey: WFOFPVXMPTVOTJ-UHFFFAOYSA-N
• INCHI: 1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3
• Isomere SMILES: CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl
• Molekulargewicht: 389.81
• Reaxy-Rn: 11139040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11139040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Dialkylarylamines Alkyl aryl ethers Aminopyridazines Chlorobenzenes Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Imidolactams 1,3,4-oxadiazoles Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Dialkylarylamine - Halobenzene - Alkyl aryl ether - Aminopyridazine - Fluorobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl fluoride - Piperidine - Aryl halide - Imidolactam - Pyridazine - Heteroaromatic compound - Azole - Oxadiazole - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Zugehörige Ziele (menschlich)

SCD Tchem Acyl-CoA desaturase (1 Activities)

Discover Target: SCD

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

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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

SCD Tchem Acyl-CoA desaturase (1011 Activities)

Discover Target: SCD

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

CYB5A Tbio Cytochrome b5 (5 Activities)

Discover Target: CYB5A

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

Liver microsomes (16955 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

Rattus norvegicus (775804 Activities)

Explore this target

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

Scd1 Acyl-CoA desaturase 1 (506 Activities)

Discover Target: Scd1

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO to 100 mM
• Molekulargewicht: 389.800 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 389.105 Da
• Monoisotopic Mass: 389.105 Da
• Topological Polar Surface Area: 77.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 485.000
• 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