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BQ 788 sodium salt - ≥98%, high purity , CAS No.156161-89-6

In stock
Item Number
B274848
Grouped product items
SKU Size
Availability
Price Qty
B274848-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$123.90
B274848-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$285.90
B274848-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$855.90

Highly potent, selective ET B receptor antagonist

Basic Description

Synonyms SCHEMBL7950700 | AKOS024456638 | NCGC00162424-01 | D-Norleucine, N-(((2R,6S)-2,6-dimethyl-1-piperidinyl)carbonyl)-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, monosodium salt | BQ-788 sodium salt
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Highly potent, selective ET B receptor antagonist (IC 50 values are 1.2 and 1300 nM for ET-1 binding to ET B and ET A , respectively). Inhibits ET-1 induced vasoconstriction, bronchoconstriction and cell proliferation. Shows antitumor effects.Selective ET
Storage Temp Protected from light,Store at -20°C,Argon charged,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Note This product is supplied in one (or more) pack size which is freeze dried. Therefore the contents may not be readily visible, as they can coat the bottom or walls of the vial. Please see our FAQs and information page for more details on handling. Solvents listed may be unsuitable for use in biological experiments. These solvents are intended to enable solubilisation and mixing of components. We recommend that biologically unsuitable solvents are removed prior to solubilisation in experimental media. Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

BQ-788 sodium salt is a potent and selective ETB receptor antagonist, inhibiting ET-1 binding to ETB receptors with an IC50 of 1.2 nM in human Girrardi heart cells.

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)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Amino acids, peptides, and analogues
Intermediate Tree Nodes Not available
Direct Parent Peptides
Alternative Parents Leucine and derivatives  N-carbamoyl-alpha amino acids and derivatives  N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Indolecarboxylic acids  3-alkylindoles  Piperidinecarboxamides  Pyrrole carboxylic acids and derivatives  Medium-chain fatty acids  Substituted pyrroles  Benzenoids  N-acyl amines  Heteroaromatic compounds  Ureas  Secondary carboxylic acid amides  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Carboximidic acids  Carboxylic acids  Monocarboxylic acids and derivatives  Organonitrogen compounds  Organopnictogen compounds  Organic zwitterions  Hydrocarbon derivatives  Organic sodium salts  Organic oxides  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Alpha peptide - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Indolecarboxylic acid - Indolecarboxylic acid derivative - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - 1-piperidinecarboxamide - Piperidinecarboxamide - Pyrrole-1-carboxylic acid or derivatives - Medium-chain fatty acid - N-acyl-amine - Fatty amide - Fatty acyl - Fatty acid - Piperidine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Urea - Carbonic acid derivative - Carboximidic acid derivative - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Carboximidic acid - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic salt - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors Not available

Associated Targets(Human)

EDNRB Tclin Endothelin receptor ET-B (1928 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 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
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./s1
InChIKey QCVIFBRTTLMEOV-FUKQNADPSA-M
Smiles [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
Isomeric SMILES CCCC[C@H](C(=O)[O-])NC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C.[Na+]
Molecular Weight 663.78

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Soluble in ethanol to 5 mM and in DMSO to 5 mM
Sensitivity light sensitive
Molecular Weight 663.800 g/mol
XLogP3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 14
Exact Mass 663.361 Da
Monoisotopic Mass 663.361 Da
Topological Polar Surface Area 162.000 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1080.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 2

Solution Calculators

Reviews

Customer Reviews

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