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BQ-788

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BQ-788
Names
Systematic IUPAC name Sodium N-{carbonyl}-4-methyl-L-leucyl-N--1-(methoxycarbonyl)-D-tryptophanamide
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • 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./s1Key: QCVIFBRTTLMEOV-FUKQNADPSA-M
  • InChI=1/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./s1Key: QCVIFBRTTLMEOV-OZEMXSCFBL
SMILES
  • CCCC(C(=O))NC(=O)(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)(CC(C)(C)C)NC(=O)N3(CCC3C)C.
Properties
Chemical formula C34H50N5NaO7
Molar mass 663.792 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

BQ-788 is a selective ETB antagonist.

See also

References

  1. Okada, M; Nishikibe, M (Winter 2002). "BQ-788, a selective endothelin ET(B) receptor antagonist". Cardiovascular Drug Reviews. 20 (1): 53–66. doi:10.1111/j.1527-3466.2002.tb00082.x. PMID 12070534.
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