MedKoo Cat#: 463643 | Name: Rodatristat ethyl

Description:

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

Rodatristat ethyl, also known as KAR-5585 and RVT 1201, is a prodrug for rodatristat and a potent, peripheral inhibitor of TPH1. Rodatristat ethyl has demonstrated efficacy in monocrotaline and SUGEN hypoxia nonclinical models of PAH and robust dose-dependent reductions of 5-hydroxyindoleacetic acid, the major metabolite of serotonin in plasma and urine of healthy human subjects.

Chemical Structure

Rodatristat ethyl
Rodatristat ethyl
CAS#1673571-51-1

Theoretical Analysis

MedKoo Cat#: 463643

Name: Rodatristat ethyl

CAS#: 1673571-51-1

Chemical Formula: C29H31ClF3N5O3

Exact Mass: 589.2068

Molecular Weight: 590.04

Elemental Analysis: C, 59.03; H, 5.30; Cl, 6.01; F, 9.66; N, 11.87; O, 8.13

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 #
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Synonym
Rodatristat ethyl; Rodatristat-ethyl; KAR5585; KAR 5585; KAR-5585; RVT 1201; RVT1201; RVT-1201;
IUPAC/Chemical Name
ethyl (S)-8-(2-amino-6-((R)-1-(5-chloro-[1,1'-biphenyl]-2-yl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylate
InChi Key
TZSZZENYCISATO-WIOPSUGQSA-N
InChi Code
InChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7-18/h3-9,14-15,22,25,35H,2,10-13,16-17H2,1H3,(H2,34,36,37)/t22-,25+/m0/s1
SMILES Code
O=C([C@H]1NCC2(CCN(C3=NC(N)=NC(O[C@H](C4=CC=C(Cl)C=C4C5=CC=CC=C5)C(F)(F)F)=C3)CC2)C1)OCC
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 590.04 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: Goldberg DR, De Lombaert S, Aiello R, Bourassa P, Barucci N, Zhang Q, Paralkar V, Stein AJ, Holt M, Valentine J, Zavadoski W. Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors. Bioorg Med Chem Lett. 2017 Feb 1;27(3):413-419. doi: 10.1016/j.bmcl.2016.12.053. Epub 2016 Dec 23. PMID: 28041831.