Synonym: 2,6-Dimethylpiperidinecarbonyl-γ-Methyl-Leu-Nin-(Methoxycarbonyl)-D-Trp-D-Nle; N-[N-[N-[(2,6-Dimethyl-1-piperidinyl)carbonyl]-4-methyl-L-leucyl]-1-(methoxycarbonyl)-D-tryptophyl]-D-norleucine sodium salt
CAS Number: 156161-89-6
Empirical Formula (Hill Notation): C34H50N5NaO7
Molecular Weight: 663.78
MDL Number: MFCD00797882
Linear Formula: C34H50N5NaO7
Product Type: Chemical
| assay |
≥95% |
| color |
white |
| form |
solid |
| InChI |
1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1 |
| InChI key |
QCVIFBRTTLMEOV-FUKQNADPSA-M |
| Quality Level |
200  |
| SMILES string |
[Na+].CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](C)CCC[C@H]3C)C([O-])=O |
| solubility |
acetonitrile: 0.3 mg/mL |
| |
DMSO: 1.2 mg/mL |
| |
ethanol: 1.2 mg/mL |
| |
H2O: slightly soluble |
| storage temp. |
−20°C |
| Application: |
BQ-788 has been used as a selective endothelin-B (ETRB) blocker in human airway smooth muscle cells (HASMCs), uterine mesothelial cells (UtMCs)-derived vascular smooth muscle cells (VSMCs), and human umbilical vein endothelial cells (HUVECs) |
| Biochem/physiol Actions: |
Selective ETB endothelin receptor antagonist. |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥95% |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |
