Y180 | DECS drug candidate

MedKoo Cat#: 128031 | Name: Y180

Description:

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

Y180 is a DECS drug candidate (deuterium enabled chiral switching).

Chemical Structure

Y180

CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128031

Name: Y180

CAS#: N/A

Chemical Formula: C30H23DFN3O4

Exact Mass: 510.1814

Molecular Weight: 510.54

Elemental Analysis: C, 70.58; H, 4.94; F, 3.72; N, 8.23; O, 12.53

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

Y180; Y-180; Y 180

IUPAC/Chemical Name

N-(dibenzo[b,d]furan-3-yl)-N-((R)-2-(((S)-1-(4-fluorophenyl)ethyl)amino)-2-oxo-1-(pyridin-3-yl)ethyl-1-d)-2-oxopropanamide

InChi Key

FABLWKKWGOKHDC-REZHCTFOSA-N

InChi Code

InChI=1S/C30H24FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-18,28H,1-2H3,(H,33,36)/t18-,28+/m0/s1/i28D

SMILES Code

FC1=CC=C([C@H](C)NC([C@](C2=CN=CC=C2)([2H])N(C3=CC(OC4=C5C=CC=C4)=C5C=C3)C(C(C)=O)=O)=O)C=C1

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 510.54 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: Quan BX, Shuai H, Xia AJ, Hou Y, Zeng R, Liu XL, Lin GF, Qiao JX, Li WP, Wang FL, Wang K, Zhou RJ, Yuen TT, Chen MX, Yoon C, Wu M, Zhang SY, Huang C, Wang YF, Yang W, Tian C, Li WM, Wei YQ, Yuen KY, Chan JF, Lei J, Chu H, Yang S. An orally available M^pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol. 2022 May;7(5):716-725. doi: 10.1038/s41564-022-01119-7. Epub 2022 Apr 27. PMID: 35477751. 2: Hehenberger E, Eitel M, Fortunato SAV, Miller DJ, Keeling PJ, Cahill MA. Early eukaryotic origins and metazoan elaboration of MAPR family proteins. Mol Phylogenet Evol. 2020 Jul;148:106814. doi: 10.1016/j.ympev.2020.106814. Epub 2020 Apr 8. PMID: 32278076. 3: Cahill MA. The evolutionary appearance of signaling motifs in PGRMC1. Biosci Trends. 2017 May 23;11(2):179-192. doi: 10.5582/bst.2017.01009. Epub 2017 Feb 28. PMID: 28250339. 4: Joseph RE, Fulton DB, Andreotti AH. Mechanism and functional significance of Itk autophosphorylation. J Mol Biol. 2007 Nov 9;373(5):1281-92. doi: 10.1016/j.jmb.2007.08.060. Epub 2007 Aug 31. PMID: 17897671; PMCID: PMC2753204. 5: Joseph RE, Severin A, Min L, Fulton DB, Andreotti AH. SH2-dependent autophosphorylation within the Tec family kinase Itk. J Mol Biol. 2009 Aug 7;391(1):164-77. doi: 10.1016/j.jmb.2009.06.023. Epub 2009 Jun 11. PMID: 19523959; PMCID: PMC2722949. 6: Sosa MH, Giordana L, Nowicki C. Exploring biochemical and functional features of Leishmania major phosphoenolpyruvate carboxykinase. Arch Biochem Biophys. 2015 Oct 1;583:120-9. doi: 10.1016/j.abb.2015.07.015. Epub 2015 Aug 11. PMID: 26271440. 7: Thejer BM, Adhikary PP, Teakel SL, Fang J, Weston PA, Gurusinghe S, Anwer AG, Gosnell M, Jazayeri JA, Ludescher M, Gray LA, Pawlak M, Wallace RH, Pant SD, Wong M, Fischer T, New EJ, Fehm TN, Neubauer H, Goldys EM, Quinn JC, Weston LA, Cahill MA. PGRMC1 effects on metabolism, genomic mutation and CpG methylation imply crucial roles in animal biology and disease. BMC Mol Cell Biol. 2020 Apr 15;21(1):26. doi: 10.1186/s12860-020-00268-z. PMID: 32293262; PMCID: PMC7160964. 8: Kawamura Y, Sugiura S, Araseki H, Chisuga T, Nakano S. Structural and functional analysis of l-methionine oxidase identified through sequence data mining. J Biosci Bioeng. 2024 Nov;138(5):391-398. doi: 10.1016/j.jbiosc.2024.07.014. Epub 2024 Aug 13. PMID: 39142977. 9: Costa LSC, Mariano DCB, Rocha REO, Kraml J, Silveira CHD, Liedl KR, de Melo- Minardi RC, Lima LHF. Molecular Dynamics Gives New Insights into the Glucose Tolerance and Inhibition Mechanisms on β-Glucosidases. Molecules. 2019 Sep 4;24(18):3215. doi: 10.3390/molecules24183215. PMID: 31487855; PMCID: PMC6766793. 10: Thejer BM, Adhikary PP, Kaur A, Teakel SL, Van Oosterum A, Seth I, Pajic M, Hannan KM, Pavy M, Poh P, Jazayeri JA, Zaw T, Pascovici D, Ludescher M, Pawlak M, Cassano JC, Turnbull L, Jazayeri M, James AC, Coorey CP, Roberts TL, Kinder SJ, Hannan RD, Patrick E, Molloy MP, New EJ, Fehm TN, Neubauer H, Goldys EM, Weston LA, Cahill MA. PGRMC1 phosphorylation affects cell shape, motility, glycolysis, mitochondrial form and function, and tumor growth. BMC Mol Cell Biol. 2020 Apr 3;21(1):24. doi: 10.1186/s12860-020-00256-3. PMID: 32245408; PMCID: PMC7119165.