Tesaglitazar

HCID 208901

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Grundinformationen

CAS: 251565-85-2
Standard-SMILES: CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
InChIKey: CXGTZJYQWSUFET-IBGZPJMESA-N
Summenformel: C20H24O7S
Durchschnittliche Molmasse: 408,5 g/mol
Monoisotopische Masse: 408,12427427

Namen und Bezeichner

Bevorzugter Name: Tesaglitazar
IUPAC: (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid
Englischer Name: (S)-2-Ethoxy-3-[4-[2-(4-methanesulfonyloxy-phenyl)-ethoxy]-phenyl]-propionic acid
Summenformel: C20H24O7S
Molmasse: 408.47

Namen und Synonyme

Tesaglitazar251565-85-2GalidaAZ-242AR-H039242XXBR-44608(s)-2-ethoxy-3-(4-(2-(4-methylsulphonyloxyphenyl)ethoxy)phenyl)propanoic acidAR-H-0392426734037O3L(2S)-2-Ethoxy-3-(4-(2-(4-((methylsulfonyl)oxy)phenyl)ethoxy)phenyl)propanoic acid(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID(S)-2-ethoxy-3-(4-((4-(methylsulfonyloxy)phenethyl)oxy)phenyl)propanoic acid

Weitere Namen anzeigen

GalidAZ 242AR-H 039242TesaglitizarAR-H 039242XXTesaglitazar, 10 mM in DMSO2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid

2-ethoxy-3-(4-((4-(methylsulfonyloxy)phenethyl)oxy)phenyl)propanoic acidDTXSID4048773tesaglitazarum(2S)-2-Ethoxy-3-[4-[2-[4-[(methylsulfonyl)oxy]phenyl]ethoxy]phenyl]propanoic acidRefChem:896625DTXCID401508653675-830-5(S)-2-Ethoxy-3-(4-(4-((methylsulfonyl)oxy)phenethoxy)phenyl)propanoic acid

Datenbank-Bezeichner

CAS: 251565-85-2
PubChem CID: 208901
DTXSID: DTXSID4048773
ChEMBL: CHEMBL282686
UNII: 6734037O3L
EC Number: 675-830-5
Nikkaji: J1.856.738E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 108 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 11
Schwere Atome: 28
Formalladung: 0
Komplexität: 556

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-85°C
Siedepunkt: 611 ℃ · 611℃
Dichte: 1.278 · 1.278
Flammpunkt: 324 ℃ · 324℃
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.62 · 3.62±0.10(Predicted)
Farbe: White
Merck: 14 · 14,9177
InChI: 1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKey: CXGTZJYQWSUFET-IBGZPJMESA-N
SMILES: O=S(OC1=CC=C(CCOC2=CC=C(C[C@H](OCC)C(O)=O)C=C2)C=C1)(C)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (33.3%)

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Pharmakologische Informationen

PharmacodynamicsTreatment with tesaglitazar lowered fasting plasma glucose, improved glucose tolerance, substantially reduced fasting and postload insulin levels, and markedly lowered fasting TG and improved lipid tolerance.