MedKoo Cat#: 145663 | Name: THRX-195518

Description:

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

THRX-195518 is a revefenacin metabolite. THRX-195518 is a potential novel drug candidate that has a high docking score

Chemical Structure

THRX-195518
THRX-195518
CAS#909800-36-8

Theoretical Analysis

MedKoo Cat#: 145663

Name: THRX-195518

CAS#: 909800-36-8

Chemical Formula: C35H42N4O5

Exact Mass: 598.3200

Molecular Weight: 598.74

Elemental Analysis: C, 70.21; H, 7.07; N, 9.36; O, 13.36

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
THRX-195518; THRX195518; THRX 195518;
IUPAC/Chemical Name
1-(4-((2-(4-(([1,1'-biphenyl]-2-ylcarbamoyl)oxy)piperidin-1-yl)ethyl)(methyl)carbamoyl)benzyl)piperidine-4-carboxylic acid
InChi Key
ZVPVPYWMFMUFEZ-UHFFFAOYSA-N
InChi Code
1S/C35H42N4O5/c1-37(33(40)28-13-11-26(12-14-28)25-39-19-15-29(16-20-39)34(41)42)23-24-38-21-17-30(18-22-38)44-35(43)36-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,29-30H,15-25H2,1H3,(H,36,43)(H,41,42)
SMILES Code
CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=CC=C(CN5CCC(CC5)C(O)=O)C=C4
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 598.74 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: Lo A, Borin MT, Bourdet DL. Population Pharmacokinetics of Revefenacin in Patients with Chronic Obstructive Pulmonary Disease. Clin Pharmacokinet. 2021 Mar;60(3):391-401. doi: 10.1007/s40262-020-00938-3. PMID: 33124005; PMCID: PMC7932972. 2: Canbolat F, Kantarci-Carsibasi N, Isik S, Shamshir SRM, Girgin M. Identification of the Candidate mGlu2 Allosteric Modulator THRX-195518 through In Silico Method and Evaluation of Its Neuroprotective Potential against Glutamate-Induced Neurotoxicity in SH-SY5Y Cell Line. Curr Issues Mol Biol. 2024 Jan 17;46(1):788-807. doi: 10.3390/cimb46010051. PMID: 38248353; PMCID: PMC10814480. 3: Bourdet DL, Yeola S, Hegde SS, Colson PJ, Barnes CN, Borin MT. Revefenacin Absorption, Metabolism, and Excretion in Healthy Subjects and Pharmacological Activity of Its Major Metabolite. Drug Metab Dispos. 2020 Dec;48(12):1312-1320. doi: 10.1124/dmd.120.000103. Epub 2020 Sep 25. PMID: 32978223. 4: Borin MT, Lo A, Barnes CN, Pendyala S, Bourdet DL. Pharmacokinetics and safety of revefenacin in subjects with impaired renal or hepatic function. Int J Chron Obstruct Pulmon Dis. 2019 Oct 8;14:2305-2318. doi: 10.2147/COPD.S203709. PMID: 31632000; PMCID: PMC6790214.