BQ-123

Possibly Marketed Outside US

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H42N6O7
Molecular Weight	610.7012
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC3=CNC4=C3C=CC=C4)NC1=O)C(C)C

InChI

InChIKey=VYCMAAOURFJIHD-PJNXIOHISA-N

InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Description

BQ-123 is a selective endothelin receptor-1 antagonist; it is used as a biochemical tool in the study of endothelin receptor function. BQ-123 was suspected to contribute to the regulation of vascular tone humans. However, a study involving young normotensive subjects did not demonstrate any major role for BQ-123 regulation of vascular tone.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Endothelin-1 receptor 7	Antagonist 2,849

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2,596

PubMed

Show entries

Title	Date	PubMed
Stimulation of catecholamine biosynthesis via the protein kinase C pathway by endothelin-1 in PC12 rat pheochromocytoma cells.	2002 Mar 1	11911850
Endothelin receptor blockade inhibits molecular effectors of Kaposi's sarcoma cell invasion and tumor growth in vivo.	2003 Aug	12875994
Endothelin-1 inhibits TNF alpha-induced iNOS expression in 3T3-F442A adipocytes.	2003 Jul	12839867
Developmental changes in the functional, biochemical and molecular properties of rat bladder endothelin receptors.	2003 May	12700883
Endothelin ET(A) but not ET(B) receptors mediate contraction of common bile duct.	2003 May 15	12686472

Showing 1 to 5 of 7 entries

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Patents

Sample Use Guides

In Vivo Use Guide

double-blind randomized study: 50 nmol/min for 60 min, or 300 nmol/min for 5 min followed by saline for 55 min

Route of Administration: Intra-arterial

In Vitro Use Guide

Unknown

Show entries

Name

Type

Language

CYCLO(D-TRP-D-ASP-PRO-D-VAL-LEU)

Preferred Name

English

BQ-123

Common Name

English

CYCLO(D-.ALPHA.-ASPARTYL-L-PROLYL-D-VALYL-L-LEUCYL-D-TRYPTOPHYL)

Systematic Name

English

2-((3R,6R,9S,12R,15S)-6-(1H-INDOL-3-YLMETHYL)-9-(2-METHYLPROPYL)-2,5,8,11,14-PENTAOXO-12-PROPAN-2-YL-1,4,7,10,13-PENTAZABICYCLO(13.3.0)OCTADECAN-3-YL)ACETIC ACID

Systematic Name

English

BQ123

Code

English

Showing 1 to 5 of 5 entries

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Show entries

Code System

Code

Type

Description

FDA UNII

S2A8YZM151

PRIMARY

DRUG BANK

DB12054

PRIMARY

PUBCHEM

443289

PRIMARY

CAS

136553-81-6

PRIMARY

EPA CompTox

DTXSID70929476

PRIMARY

Showing 1 to 5 of 6 entries

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ACTIVE MOIETY


					S2A8YZM151

BQ-123

SALT/SOLVATE (PARENT)


					05427HSQ1I

BQ-123 SODIUM