Key facts
CAS number:156161-89-6,
Purity:>98%,
Form:SolidSee storage information,
Molecular weight:663.8 Da,
Molecular formula:C34H50N5NaO7,
PubChem:23693553,
Nature:Synthetic,
Solubility:Soluble in ethanol to 5 mMSoluble in DMSO to 5 mM,
Biochemical name:BQ-788 sodium salt,
Biological description:Highly potent, selective ETB receptor antagonist (IC50 values are 1.2 and 1300 nM for ET-1 binding to ETB and ETA, respectively). Inhibits ET-1 induced vasoconstriction, bronchoconstriction and cell proliferation. Shows antitumor effects.,
Canonical smiles:CCCCC(C(=O)[O-])N(C(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)N)C(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+],
Isomeric smiles:CCCC[C@H](C(=O)[O-])N(C(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)N)C(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C.[Na+],
InChi:InChI=1S/C34H51N5O7.Na/c1-8-9-16-28(31(42)43)39(29(40)25(35)18-23-20-37(33(45)46-7)27-17-11-10-15-24(23)27)30(41)26(19-34(4,5)6)36-32(44)38-21(2)13-12-14-22(38)3;/h10-11,15,17,20-22,25-26,28H,8-9,12-14,16,18-19,35H2,1-7H3,(H,36,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26+,28-;/m1./s1,
InChiKey:JFIJJAJAXSAGIH-IVZJRGRDSA-M,
IUPAC Name:sodium;(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoate
Properties and Storage Information:
Shipped at conditions-Ambient - Can Ship with Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C, Storage information-Store under desiccating conditions, The product can be stored for up to 12 months
