BQ-123 is A selective endothelin A receptor (ETA) antagonist with an IC50 of 7.3 nM. Phase 2.

 

Brand: BCM

 

Target: Endothelin Receptor

 

Signaling Pathways: GPCR/G Protein

 

In Vitro: In porcine aortic vascular smooth muscle cells, BQ-123 selectively inhibits ETA-mediated contraction. In rat vascular smooth muscle cells, BQ-123 inhibits endothelin-1-induced phosphoinositide breakdown and DNA synthesis.

 

Boiling Point: 1053.6±65.0 °C(Predicted)

 

pKa: 4.04±0.10(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Ethanol. Insoluble in Water.

 

Isomeric SMILES: CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43  

 

InChIKey: VYCMAAOURFJIHD-PJNXIOHISA-N  

 

InChI: InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1

 

Attribute
[Chem Name]	2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
[Synonym]	BQ-123
[CAS No.]	136553-81-6
[MDL No.]	MFCD00133204
[Formula]	C31H42N6O7
[Molecular]	610.7
[Form]	Lyophilized powder
[Storage]	Sealed in dry. Store in freezer, under -20°C

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