Aleglitazar - Moligand™, ≥98% , Peroxisome proliferator-activated receptor gamma agonist, CAS No.475479-34-6, Peroxisome proliferator-activated receptor gamma agonist

CAS: 475479-34-6 Cat. No.: A126806 Summenformel: C₂₄H₂₃NO₅S Molekulargewicht: 437.51

QUALITÄT & REINHEIT Moligand™, ≥98%

Synonyms

RO7|R 1439|BENZO(B)THIOPHENE-7-PROPANOIC ACID, .ALPHA.-METHOXY-4-(2-(5-METHYL-2-PHENYL-4-OXAZOLYL)ETHOXY)-, (.ALPHA.S)-|(2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid|1-benzenesulphonyl-1H-indole|Aleglitazar (USAN)|RO 0728804|(2S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid|(S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-prop ionic acid|ALEGLITAZAR [INN]|RO-0728804-000|(S)-2-Methoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl-ethoxy)benzo(b)thiophen-7-yl)propionic acid|(S)-2-Methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic acid|Aleglitazar|(5)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic acid|Aleglitazar [USAN:INN]|Aleglitazar [USAN]|RG-1439|(S)-2-Methoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid|(2S)-2-Methoxy-3-(4-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy)-benzothiophen-7-yl)propionic acid|(2S)-2-Methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-benzothiophen-7-yl}propionic acid|Benzo(b)thiophene-7-propanoic acid, alpha-methoxy-4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)-, (alphaS)-|RO0728804|RO-0728804|(S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-7-yl}-propionic acid|ALEGLITAZAR [WHO-DD]

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

Aleglitazar (R1439) ist ein potenter dualer PPARα/γ-Agonist mit IC50-Werten von 38 nM und 19 nM für humanes PPARa bzw. PPARγ. Aleglitazar kann zur Erforschung von Typ-II-Diabetes eingesetzt werden。

Spezifikationen

Synonyme

RO7 | R 1439 | BENZO(B)THIOPHENE-7-PROPANOIC ACID, .ALPHA.-METHOXY-4-(2-(5-METHYL-2-PHENYL-4-OXAZOLYL)ETHOXY)-, (.ALPHA.S)- | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid | 1-benzenesulphonyl-1H-indole | Aleglitazar (USAN) | RO 0728804 | (2S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3 Show more

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Aleglitazar (R1439) ist ein dualer Agonist des Peroxisom-Proliferator-aktivierten Rezeptors (PPAR) mit einer Affinität zu PPARα und PPARγ. Aleglitazar wird für die Behandlung von Typ-II-Diabetes entwickelt; es befindet sich derzeit in der

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Peroxisome proliferator-activated receptor gamma agonist

Reinheit

≥98%

Produkteigenschaften

ALogP

5.1

Namen und Kennungen

Kanonisches Lächeln

CC1=C(CCOC2=CC=C(C[C@@H](C(O)=O)OC)C3=C2C=CS3)N=C(C4=CC=CC=C4)O1

IUPAC Name

(2S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid

InChIKey

DAYKLWSKQJBGCS-NRFANRHFSA-N

INCHI

1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1

Isomere SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)C[C@@H](C(=O)O)OC

Molekulargewicht

437.51

Reaxy-Rn

11748724

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11748724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: 1-benzothiophenes 2,4,5-trisubstituted oxazoles Alkyl aryl ethers Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,3-oxazole - Benzothiophene - 1-benzothiophene - 2,4,5-trisubstituted 1,3-oxazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Oxacycle - Azacycle - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• 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)

PPARA Tclin Peroxisome proliferator-activated receptor alpha (2 Activities)

Discover Target: PPARA

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

PPARD Tchem Peroxisome proliferator-activated receptor delta (1 Activities)

Discover Target: PPARD

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (2 Activities)

Discover Target: PPARG

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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

Zugehörige Ziele (nicht menschlich)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO
• Molekulargewicht: 437.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 437.13 Da
• Monoisotopic Mass: 437.13 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 586.000
• 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