CS-003 HCl | CAS# 216776-73-7 (HCl) | triple neurokinin receptor antagonist

MedKoo Cat#: 413364 | Name: CS-003 HCl

Description:

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

CS-003 HCl is a TNRA - triple neurokinin receptor antagonist.

Chemical Structure

CS-003 HCl

CAS#216776-73-7 (HCl)

Theoretical Analysis

MedKoo Cat#: 413364

Name: CS-003 HCl

CAS#: 216776-73-7 (HCl)

Chemical Formula: C34H39Cl3N2O6S

Exact Mass:

Molecular Weight: 710.10

Elemental Analysis: C, 57.51; H, 5.54; Cl, 14.98; N, 3.95; O, 13.52; S, 4.51

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 #

191672-52-3 (Free Base) 216776-73-7 (HCl)

Synonym

CS-003 HCl; CS003; CS 003; CS-003

IUPAC/Chemical Name

Methanone, ((2R)-2-(3,4-dichlorophenyl)-2-(2-((2S)-2-oxidospiro(benzo(C)thiophene-1(3H),4'-piperidin)-1'-yl)ethyl)-4-morpholinyl)(3,4,5-trimethoxyphenyl)-, hydrochloride (1:1)

InChi Key

IHDDYKNRVLPVEV-FFKPOUSOSA-N

InChi Code

InChI=1S/C34H38Cl2N2O6S.ClH/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40;/h4-9,18-20H,10-17,21-22H2,1-3H3;1H/t33-,45-;/m0./s1

SMILES Code

O=C(N1C[C@@](CCN2CCC3(CC2)C4=CC=CC=C4C[S@@]3=O)(C5=CC=C(Cl)C(Cl)=C5)OCC1)C6=CC(OC)=C(OC)C(OC)=C6.[H]Cl

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

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

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 710.10 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: Tsuchida H, Takahashi S, Nosaka E, Mukaiyama O, Yamashita M, Morimoto K. Novel triple neurokinin receptor antagonist CS-003 strongly inhibits neurokinin related responses. Eur J Pharmacol. 2008 May 31;586(1-3):306-12. doi: 10.1016/j.ejphar.2008.02.056. Epub 2008 Mar 4. PMID: 18353309. 2: Tsuchida H, Takahashi S, Nosaka E, Kuraya T, Yamashita M, Morimoto K. Novel triple neurokinin receptor antagonist CS-003 inhibits respiratory disease models in guinea pigs. Eur J Pharmacol. 2008 Oct 31;596(1-3):153-9. doi: 10.1016/j.ejphar.2008.07.046. Epub 2008 Jul 31. PMID: 18706408. 3: Schelfhout V, Louis R, Lenz W, Heyrman R, Pauwels R, Joos G. The triple neurokinin-receptor antagonist CS-003 inhibits neurokinin A-induced bronchoconstriction in patients with asthma. Pulm Pharmacol Ther. 2006;19(6):413-8. doi: 10.1016/j.pupt.2005.10.007. Epub 2005 Dec 20. PMID: 16364669. 4: Bayes M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2003 Nov;25(9):747-71. PMID: 14685303. 5: Noritake K, Suzuki J, Matsuoka T, Makino T, Ohnishi H, Shimomura K, Uenoyama Y, Tsukamura H, Maeda K, Sanbuissho A. Testicular toxicity induced by a triple neurokinin receptor antagonist in male dogs. Reprod Toxicol. 2011 May;31(4):440-6. doi: 10.1016/j.reprotox.2010.12.007. Epub 2010 Dec 23. PMID: 21185367. 6: Noritake K, Matsuoka T, Ohsawa T, Shimomura K, Sanbuissho A, Uenoyama Y, Maeda K, Tsukamura H. Involvement of neurokinin receptors in the control of pulsatile luteinizing hormone secretion in rats. J Reprod Dev. 2011 Jun;57(3):409-15. doi: 10.1262/jrd.11-002s. Epub 2011 Feb 25. PMID: 21358144. 7: Kumon M, Yabe Y, Kasuya Y, Suzuki M, Kusai A, Yonemochi E, Terada K. Applicability of DPI formulations for novel neurokinin receptor antagonist. Int J Pharm. 2008 May 22;356(1-2):102-9. doi: 10.1016/j.ijpharm.2007.12.044. Epub 2008 Jan 9. PMID: 18294787.