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BQ-788

Molecular FormulaC₃₄H₅₀N₅NaO₇
Average mass663.780 Da
Monoisotopic mass663.360779 Da
ChemSpider ID4470569

- Charge
- 5 of 5 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BQ-788 [Wiki]

156161-89-6 [RN]

2,6-Dimethylpiperidinecarbonyl-γ-Methyl-Leu-Nin-(Methoxycarbonyl)-D-Trp-D-Nle

BQ 788 sodium salt

BQ788

D-Norleucine, N-(((2R,6S)-2,6-dimethyl-1-piperidinyl)carbonyl)-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, monosodium salt

D-Norleucine, N-((cis-2,6-dimethyl-1-piperidinyl)carbonyl)-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, monosodium salt

D-Norleucine, N-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl]-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, sodium salt (1:1) [ACD/Index Name]

MFCD00797882

N-[N-[N-[(2,6-Dimethyl-1-piperidinyl)carbonyl]-4-methyl-L-leucyl]-1-(methoxycarbonyl)-D-tryptophyl]-D-norleucine sodium salt

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N-{[(2R,6S)-2,6-Diméthyl-1-pipéridinyl]carbonyl}-4-méthyl-L-leucyl-N-[(1R)-1-carboxylatopentyl]-1-(méthoxycarbonyl)-D-tryptophaneamide de sodium [French] [ACD/IUPAC Name]

Natrium-N-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}-4-methyl-L-leucyl-N-[(1R)-1-carboxylatopentyl]-1-(methoxycarbonyl)-D-tryptophanamid [German] [ACD/IUPAC Name]

Sodium N-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}-4-methyl-L-leucyl-N-[(1R)-1-carboxylatopentyl]-1-(methoxycarbonyl)-D-tryptophanamide [ACD/IUPAC Name]

Sodium N-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonyl}-4-methyl-L-leucyl-N-[(1R)-1-carboxylatopentyl]-1-(methoxycarbonyl)-D-tryptophanamide

2,6-Dimethylpiperidinecarbonyl-Î³-Methyl-Leu-Nin-(Methoxycarbonyl)-D-Trp-D-Nle

BQ-788 (sodium salt)

BQ-788 Sodium

BQ788 sodium salt

BQ-788 sodium salt

BQ788 sodium salt;BQ 788 sodium salt

DMPC-γ-MELEU-D-Trp(1-Co2CH3)-D-Nle Na

IV-2 |

NCGC00162424-01

N-cis-2,6-dimethylpiperidinocarbonyl-L-??-methylleucyl-D-1-methoxycarbonyltryptophanyl-D-norleucine

sodium (2R)-2-[(2R)-2-[(2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonylamino]-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)indol-3-yl]propanamido]hexanoate

sodium (2R)-2-[(2R)-2-[(2S)-2-{[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino}-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4,4-dimethyl-pentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethyl-pentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-4,4-dimethyl-pentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethyl-pentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-4,4-dimethyl-1-oxopentyl]amino]-3-(1-methoxycarbonyl-3-indolyl)-1-oxopropyl]amino]hexanoate

sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[[(2S,6R)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-4,4-dimethyl-1-oxopentyl]amino]-3-(1-methoxycarbonyl-3-indolyl)-1-oxopropyl]amino]hexanoate

sodium (2R)-2-[[(2R)-3-(1-carbomethoxyindol-3-yl)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethyl-pentanoyl]amino]propanoyl]amino]hexanoate

sodium (2R)-2-[[(2R)-3-(1-carbomethoxyindol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethyl-pentanoyl]amino]propanoyl]amino]hexanoate

Sodium (R)-2-((R)-2-((S)-2-((2R,6S)-2,6-dimethylpiperidine-1-carboxamido)-4,4-dimethylpentanamido)-3-(1-(methoxycarbonyl)-1H-indol-3-yl)propanamido)hexanoate

Sodium BQ-788

TLR4-IN-C34 |

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

44OLL8XEJ4 [DBID]

UNII:44OLL8XEJ4 [DBID]

UNII-44OLL8XEJ4 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties

Bio Activity:

7-TM Receptors Tocris Bioscience 1500

BQ-788 sodium salt is a potent, selective ETB receptor antagonist (IC50 = 1.2 nM for inhibition of ET-1 binding to human Girardi heart cells); poorly inhibited the binding to ET A receptors in human neuroblastoma cell line SK-N-MC cells (IC(50), 1300 nM).;IC50 value: 1.2 nM [1];Target: ETB receptor;In vitro: BQ-788 potently and competitively inhibited (125)I-labeled ET-1 binding to ET(B) receptors in human Girrardi heart cells (hGH) with an IC(50) of 1.2 nM, but only poorly inhibited the binding to ET A receptors in human neuroblastoma cell line SK-N-MC cells (IC(50), 1300 nM). In isolated rabbit pulmonary arteries, BQ-788 showed no agonistic activity up to 10 microM and competitively inhibited the vasoconstriction induced by an ET(B)-selective agonist (pA(2), 8.4). BQ-788 also inhibited several bioactivities of ET-1, such as bronchoconstriction, cell proliferation, and clearance of perfused ET-1 [1]. In the rat aorta, BQ-788 antagonized the endothelium-dependent, ETB1 receptor-med MedChem Express HY-15894

Endothelin Receptor MedChem Express HY-15894

Endothelin Receptors Tocris Bioscience 1500

GPCR/G protein MedChem Express HY-15894

GPCR/G protein; MedChem Express HY-15894

Peptide Receptors Tocris Bioscience 1500

Potent, selective ETB receptor antagonist (IC50 = 1.2 nM for inhibition of ET-1 binding to human Girardi heart cells). Tocris Bioscience 1500

Selective ETB antagonist Tocris Bioscience 1500

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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Click to predict properties on the Chemicalize site

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BQ-788

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