Nebentan | YM598 | CAS#403604-85-3

MedKoo Cat#: 206017 | Name: Nebentan

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Nebentan, also known as YM598, is a n orally active synthetic substituted phenylethenesulfonamide. As a selective endothelin A receptor antagonist, YM598 inhibits endothelin-mediated mechanisms involved in tumor cell growth and progression, angiogenesis, and metastasis. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus)

Chemical Structure

Nebentan

CAS#403604-85-3

Theoretical Analysis

MedKoo Cat#: 206017

Name: Nebentan

CAS#: 403604-85-3

Chemical Formula: C24H21N5O5S

Exact Mass: 491.1263

Molecular Weight: 491.52

Elemental Analysis: C, 58.65; H, 4.31; N, 14.25; O, 16.28; S, 6.52

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

YM598, YM 598, YM598, Nebentan.

IUPAC/Chemical Name

(E)-N-(6-methoxy-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)-2-phenylethenesulfonamide

InChi Key

LONWRQOYFPYMQD-DTQAZKPQSA-N

InChi Code

InChI=1S/C24H21N5O5S/c1-32-18-11-6-7-12-19(18)34-20-21(29-35(30,31)16-13-17-9-4-3-5-10-17)27-23(28-24(20)33-2)22-25-14-8-15-26-22/h3-16H,1-2H3,(H,27,28,29)/b16-13+

SMILES Code

O=S(/C=C/C1=CC=CC=C1)(NC2=NC(C3=NC=CC=N3)=NC(OC)=C2OC4=CC=CC=C4OC)=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

>5 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 491.52 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

1: Ukai M, Yuyama H, Fujimori A, Koakutsu A, Sanagi M, Ohtake A, Sato S, Sudoh K, Sasamata M, Miyata K. In vitro and in vivo effects of endothelin-1 and YM598, a selective endothelin ET A receptor antagonist, on the lower urinary tract. Eur J Pharmacol. 2008 Feb 12;580(3):394-400. Epub 2007 Nov 23. PubMed PMID: 18078923. 2: Someya A, Yuyama H, Fujimori A, Ukai M, Fukushima S, Sasamata M. Effect of YM598, a selective endothelin ETA receptor antagonist, on endothelin-1-induced bone formation. Eur J Pharmacol. 2006 Aug 14;543(1-3):14-20. Epub 2006 Jun 27. PubMed PMID: 16843458. 3: Yuyama H, Fujimori A, Sanagi M, Koakutsu A, Noguchi Y, Sudoh K, Sasamata M, Miyata K. A novel and selective endothelin ET(A) receptor antagonist YM598 prevents the development of chronic hypoxia-induced pulmonary hypertension in rats. Vascul Pharmacol. 2005 Jun;43(1):40-6. Epub 2005 Apr 21. PubMed PMID: 15975532. 4: Yuyama H, Koakutsu A, Fujiyasu N, Fujimori A, Sato S, Shibasaki K, Tanaka S, Sudoh K, Sasamata M, Miyata K. Inhibitory effects of a selective endothelin-A receptor antagonist YM598 on endothelin-1-induced potentiation of nociception in formalin-induced and prostate cancer-induced pain models in mice. J Cardiovasc Pharmacol. 2004 Nov;44 Suppl 1:S479-82. PubMed PMID: 15838353. 5: Sugimoto K, Fujimori A, Yuyama H, Tahara A, Fujimura A. Renal protective effect of YM598, a selective endothelin type A receptor antagonist. J Cardiovasc Pharmacol. 2004 Nov;44 Suppl 1:S451-4. PubMed PMID: 15838346. 6: Sudoh K, Yuyama H, Noguchi Y, Fujimori A, Ukai M, Ohtake A, Sato S, Sasamata M, Miyata K. Pharmacological characterization of YM598, a selective endothelin-A receptor antagonist. J Cardiovasc Pharmacol. 2004 Nov;44 Suppl 1:S390-3. PubMed PMID: 15838329. 7: Fujimori A, Miyauchi T, Sakai S, Yuyama H, Iemitsu M, Sanagi M, Sudoh K, Goto K, Shikama H, Yamaguchi I. YM598, an orally active ET(A) receptor antagonist, ameliorates the progression of cardiopulmonary changes and both-side heart failure in rats with cor pulmonale and myocardial infarction. J Cardiovasc Pharmacol. 2004 Nov;44 Suppl 1:S354-7. PubMed PMID: 15838319. 8: Yuyama H, Noguchi Y, Fujimori A, Ukai M, Fujiyasu N, Ohtake A, Sato S, Sudoh K, Sasamata M, Miyata K. Superiority of YM598 over atrasentan as a selective endothelin ETA receptor antagonist. Eur J Pharmacol. 2004 Sep 13;498(1-3):171-7. PubMed PMID: 15363992. 9: Yuyama H, Fujimori A, Sanagi M, Koakutsu A, Sudoh K, Sasamata M, Miyata K. The orally active nonpeptide selective endothelin ETA receptor antagonist YM598 prevents and reverses the development of pulmonary hypertension in monocrotaline-treated rats. Eur J Pharmacol. 2004 Aug 2;496(1-3):129-39. PubMed PMID: 15288584. 10: Yuyama H, Sonoda R, Shibasaki K, Fujimori A, Sudoh K, Sasamata M, Miyata K. Effect of single oral administration of YM598, a novel selective endothelin ETA receptor antagonist, on blood pressure in normotensive and hypertensive rats. Vascul Pharmacol. 2004 Feb;41(1):27-34. PubMed PMID: 15135329.