CAS No. 1000413-72-8

Description:
TAK-875 is a potent, selective, and orally bioavailable GPR40 agonist, with a pharmacokinetic profile enabling long-acting drug efficacy.

• Molecular Weight: 524.63
• Molecular Formula: C29H32O7S

Purity: >98%

Canonical SMILES:
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCCCS(=O)(=O)C

InChI:
InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1

InChIKey: BZCALJIHZVNMGJ-HSZRJFAPSA-N

• Boiling Point: 739.1±60.0°C at 760 mmHg
• Melting Point: 123-127°C
• Solubility: Soluble in Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
• Appearance: White to Off-white Solid
• Storage: Store at 2-8°C

Synonyms:
TAK875; TAK 875; Fasiglifam; 3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, (3S)-; (3S)-6-[[2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-3-benzofuranacetic acid; (+)-TAK 875; (3S)-6-([2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl]methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid

More details are to be found on supplier website

Smile code:
O=C(O)C[C@@H]1COC2=CC(OCC3=CC(C4=C(C)C=C(OCCCS(=O)(C)=O)C=C4C)=CC=C3)=CC=C12
MDL Number:
MFCD18251445
Purity :
98+%
Available in stock:
11.1 g