RO462005 | CAS#150725-87-4 | endothelin receptor agonist

Ro 46-2005
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 522679

CAS#: 150725-87-4

Description: Ro 46-2005 is an endothelin (ET) receptor selective agonist.

Chemical Structure

Ro 46-2005

CAS# 150725-87-4

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 522679
Name: Ro 46-2005
CAS#: 150725-87-4
Chemical Formula: C23H27N3O6S
Exact Mass: 473.16
Molecular Weight: 473.540
Elemental Analysis: C, 58.34; H, 5.75; N, 8.87; O, 20.27; S, 6.77

Price and Availability

Size	Price	Availability	Quantity
5g	USD -1
10mg	USD 150
25mg	USD 250
50mg	USD 450
100mg	USD 750
200mg	USD 1250
500mg	USD 2150
1g	USD 2850
2g	USD 4250
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: RO462005; RO-462005; RO 462005; Ro-46-2005; Ro 46-2005; Ro46-2005.

IUPAC/Chemical Name: 4-(tert-butyl)-N-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl)benzenesulfonamide

InChi Key: ZNXOKLWCOWOECF-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)

SMILES Code: O=S(C1=CC=C(C(C)(C)C)C=C1)(NC2=NC=NC(OCCO)=C2OC3=CC=CC(OC)=C3)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:

Product Data

Instruction:

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Biological target:	Ro 46-2005 is an ET receptor antagonist that inhibits the specific binding of 125I-ET-1 to human vascular smooth muscle cells with IC50 of 220 nM. Ro 46-2005 proves to be equipotent (IC50 200-500 nM) for inhibiting [125I]ET-1 binding on tETA and ETB. Ro 46-2005 inhibits the functional consequences of ET-1 stimulation.
In vitro activity:	Ro 46-2005 was equipotent (IC50 200-500 nM) for inhibiting [125]ET-1 binding on the ET receptor subtypes ETA and ETB. Ro 46-2005 also inhibited the functional consequences of ET-1 stimulation. The ET-1 induced release of arachidonic acid from rat mesangial cells was inhibited with an IC50 of 1.8 microM. Reference: FEBS Lett. 1993 Nov 15;334(2):210-4. https://pubmed.ncbi.nlm.nih.gov/8224248/
In vivo activity:	In rats, the specific [125I]-ET-1 binding in non-pregnant and pregnant myometrium was completely inhibited by unlabelled ET-1 and Ro 46-2005. Reference: Mol Hum Reprod. 1999 Mar;5(3):270-6. https://pubmed.ncbi.nlm.nih.gov/10333362/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	100.0	211.18

Preparing Stock Solutions

The following data is based on the product molecular weight 473.54 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Breu V, Löffler BM, Clozel M. In vitro characterization of Ro 46-2005, a novel synthetic non-peptide endothelin antagonist of ETA and ETB receptors. FEBS Lett. 1993 Nov 15;334(2):210-4. doi: 10.1016/0014-5793(93)81713-a. PMID: 8224248. 2. Clozel M, Breu V, Burri K, Cassal JM, Fischli W, Gray GA, Hirth G, Löffler BM, Müller M, Neidhart W, et al. Pathophysiological role of endothelin revealed by the first orally active endothelin receptor antagonist. Nature. 1993 Oct 21;365(6448):759-61. doi: 10.1038/365759a0. PMID: 8413655. 3. Sakamoto S, Aso T, Masuda H, Goto M, Tamaoki S, Azuma H. Gestational changes in endothelin-1-induced receptors and myometrial contractions in rat. Mol Hum Reprod. 1999 Mar;5(3):270-6. doi: 10.1093/molehr/5.3.270. PMID: 10333362.
In vitro protocol:	1. Breu V, Löffler BM, Clozel M. In vitro characterization of Ro 46-2005, a novel synthetic non-peptide endothelin antagonist of ETA and ETB receptors. FEBS Lett. 1993 Nov 15;334(2):210-4. doi: 10.1016/0014-5793(93)81713-a. PMID: 8224248. 2. Clozel M, Breu V, Burri K, Cassal JM, Fischli W, Gray GA, Hirth G, Löffler BM, Müller M, Neidhart W, et al. Pathophysiological role of endothelin revealed by the first orally active endothelin receptor antagonist. Nature. 1993 Oct 21;365(6448):759-61. doi: 10.1038/365759a0. PMID: 8413655.
In vivo protocol:	1. Sakamoto S, Aso T, Masuda H, Goto M, Tamaoki S, Azuma H. Gestational changes in endothelin-1-induced receptors and myometrial contractions in rat. Mol Hum Reprod. 1999 Mar;5(3):270-6. doi: 10.1093/molehr/5.3.270. PMID: 10333362.

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1: Maguire JJ, Kuc RE, Davenport AP. Defining the affinity and receptor sub-type
selectivity of four classes of endothelin antagonists in clinically relevant
human cardiovascular tissues. Life Sci. 2012 Oct 15;91(13-14):681-6. doi:
10.1016/j.lfs.2012.05.008. Epub 2012 May 23. PubMed PMID: 22634326.

2: Bacon CR, Davenport AP. Endothelin receptors in human coronary artery and
aorta. Br J Pharmacol. 1996 Mar;117(5):986-92. PubMed PMID: 8851522; PubMed
Central PMCID: PMC1909397.

3: Peter MG, Davenport AP. Characterization of the endothelin receptor selective
agonist, BQ3020 and antagonists BQ123, FR139317, BQ788, 50235, Ro462005 and
bosentan in the heart. Br J Pharmacol. 1996 Feb;117(3):455-462. PubMed PMID:
8821534; PubMed Central PMCID: PMC1909322.

4: Davenport AP, Kuc RE, Hoskins SL, Karet FE, Fitzgerald F. [125I]-PD151242: a
selective ligand for endothelin ETA receptors in human kidney which localizes to
renal vasculature. Br J Pharmacol. 1994 Dec;113(4):1303-10. PubMed PMID: 7534185;
PubMed Central PMCID: PMC1510473.

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