MedKoo Cat#: 563953 | Name: RO4583298

Description:

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

RO4583298 is a highly potent dual NK1/NK3 receptor antagonist with in vivo activity.

Chemical Structure

 RO4583298
RO4583298
CAS#825643-56-9

Theoretical Analysis

MedKoo Cat#: 563953

Name: RO4583298

CAS#: 825643-56-9

Chemical Formula: C30H30F7N3O3

Exact Mass: 613.2175

Molecular Weight: 613.58

Elemental Analysis: C, 58.73; H, 4.93; F, 21.67; N, 6.85; O, 7.82

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.
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Related CAS #
No Data
Synonym
RO4583298; RO-4583298; RO 4583298
IUPAC/Chemical Name
2-[3,5-Bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]-N,2-dimethylpropanamide
InChi Key
QOOXCQFWUYVSGU-RPBOFIJWSA-N
InChi Code
InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25+/m1/s1
SMILES Code
CC(C)(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(N(C2=C(C3=CC=C(F)C=C3C)C=C(N4[C@H](CO)[C@@H](O)CC4)N=C2)C)=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
Shelf Life
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 613.58 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.

Recalculate based on batch purity %
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: Malherbe P, Knoflach F, Hernandez MC, Hoffmann T, Schnider P, Porter RH, Wettstein JG, Ballard TM, Spooren W, Steward L. Characterization of RO4583298 as a novel potent, dual antagonist with in vivo activity at tachykinin NK₁ and NK₃ receptors. Br J Pharmacol. 2011 Feb;162(4):929-46. doi: 10.1111/j.1476-5381.2010.01096.x. PubMed PMID: 21039418; PubMed Central PMCID: PMC3042203. 2: Bissantz C, Bohnert C, Hoffmann T, Marcuz A, Schnider P, Malherbe P. Identification of a crucial amino acid in the helix position 6.51 of human tachykinin neurokinin 1 and 3 receptors contributing to the insurmountable mode of antagonism by dual NK₁/NK₃ antagonists. J Med Chem. 2012 Jun 14;55(11):5061-76. doi: 10.1021/jm2017072. Epub 2012 May 22. PubMed PMID: 22574973.