Contezolid acefosamil | CAS# 1807365-35-0 (acefosamil) | Antibiotic

MedKoo Cat#: 413269 | Name: Contezolid acefosamil

Description:

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

Contezolid acefosamil is an Antibiotic

Chemical Structure

Contezolid acefosamil

CAS#1807365-35-0 (sodium)

Theoretical Analysis

MedKoo Cat#: 413269

Name: Contezolid acefosamil

CAS#: 1807365-35-0 (sodium)

Chemical Formula: C20H17F3N4NaO8P

Exact Mass: 0.0000

Molecular Weight: 552.33

Elemental Analysis: C, 43.49; H, 3.10; F, 10.32; N, 10.14; Na, 4.16; O, 23.17; P, 5.61

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 #

1112968-42-9 (free base) 1807365-35-0 (sodium) 1807497-11-5 (free acid)

Synonym

Contezolid acefosamil; MRX4; MRX 4; MRX-4

IUPAC/Chemical Name

Acetic acid, anhydride with N-(((5R)-3-(4-(3,4-dihydro-4-oxo-1(2H)-pyridinyl)-2,3,5-trifluorophenyl)-2-oxo-5-oxazolidinyl)methyl)-N-3-isoxazolylphosphoramidic acid, sodium salt (1:1:1)

InChi Key

JANNTEAGZXJITO-BTQNPOSSSA-M

InChi Code

InChI=1S/C20H18F3N4O8P.Na/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25;/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32);/q;+1/p-1/t13-;/m1./s1

SMILES Code

CC(OP([O-])(N(c1nocc1)C[C@H]2CN(c3c(F)c(F)c(N4CCC(C=C4)=O)c(F)c3)C(O2)=O)=O)=O.[Na+]

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	comments
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 552.33 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: Wu J, Cao G, Wu H, Chen Y, Guo B, Wu X, Yu J, Ni K, Qian J, Wang L, Wu J, Wang Y, Yuan H, Zhang J, Xi Y. Evaluation of the Effect of Contezolid (MRX-I) on the Corrected QT Interval in a Randomized, Double-Blind, Placebo- and Positive- Controlled Crossover Study in Healthy Chinese Volunteers. Antimicrob Agents Chemother. 2020 May 21;64(6):e02158-19. doi: 10.1128/AAC.02158-19. PMID: 32229495; PMCID: PMC7269508. 2: Wu J, Wu H, Wang Y, Chen Y, Guo B, Cao G, Wu X, Yu J, Wu J, Zhu D, Guo Y, Yuan H, Hu F, Zhang J. Tolerability and Pharmacokinetics of Contezolid at Therapeutic and Supratherapeutic Doses in Healthy Chinese Subjects, and Assessment of Contezolid Dosing Regimens Based on Pharmacokinetic/Pharmacodynamic Analysis. Clin Ther. 2019 Jun;41(6):1164-1174.e4. doi: 10.1016/j.clinthera.2019.04.025. Epub 2019 May 22. PMID: 31126694. 3: Shoen C, DeStefano M, Hafkin B, Cynamon M. In Vitro and In Vivo Activities of Contezolid (MRX-I) against Mycobacterium tuberculosis. Antimicrob Agents Chemother. 2018 Jul 27;62(8):e00493-18. doi: 10.1128/AAC.00493-18. PMID: 29784848; PMCID: PMC6105800. 4: Li L, Wu H, Chen Y, Yuan H, Wu J, Wu X, Zhang Y, Cao G, Guo B, Wu J, Zhao M, Zhang J. Population Pharmacokinetics Study of Contezolid (MRX-I), a Novel Oxazolidinone Antibacterial Agent, in Chinese Patients. Clin Ther. 2020 May;42(5):818-829. doi: 10.1016/j.clinthera.2020.03.020. Epub 2020 May 7. PMID: 32389326. 5: Carvalhaes CG, Duncan LR, Wang W, Sader HS. In Vitro Activity and Potency of the Novel Oxazolidinone Contezolid (MRX-I) Tested against Gram- Positive Clinical Isolates from the United States and Europe. Antimicrob Agents Chemother. 2020 Oct 20;64(11):e01195-20. doi: 10.1128/AAC.01195-20. PMID: 32778552; PMCID: PMC7577137. 6: Wu J, Wang K, Chen Y, Yuan H, Li L, Zhang J. Concentration-response modeling of ECG data from early-phase clinical studies to assess QT prolongation risk of contezolid (MRX-I), an oxazolidinone antibacterial agent. J Pharmacokinet Pharmacodyn. 2019 Dec;46(6):531-541. doi: 10.1007/s10928-019-09650-7. Epub 2019 Aug 13. PMID: 31410633. 7: Wright A, Deane-Alder K, Marschall E, Bamert R, Venugopal H, Lithgow T, Lupton DW, Belousoff MJ. Characterization of the Core Ribosomal Binding Region for the Oxazolidone Family of Antibiotics Using Cryo-EM. ACS Pharmacol Transl Sci. 2020 May 13;3(3):425-432. doi: 10.1021/acsptsci.0c00041. PMID: 32566908; PMCID: PMC7296538. 8: Baillie TA, Dalvie D, Rietjens IM, Cyrus Khojasteh S. Biotransformation and bioactivation reactions - 2015 literature highlights. Drug Metab Rev. 2016 May;48(2):113-38. doi: 10.1080/03602532.2016.1195404. PMID: 27362326. 9: Bassetti M, Del Puente F, Magnasco L, Giacobbe DR. Innovative therapies for acute bacterial skin and skin-structure infections (ABSSSI) caused by methicillin-resistant Staphylococcus aureus: advances in phase I and II trials. Expert Opin Investig Drugs. 2020 May;29(5):495-506. doi: 10.1080/13543784.2020.1750595. Epub 2020 Apr 19. PMID: 32242469. 10: Gordeev MF, Yuan ZY. New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile. J Med Chem. 2014 Jun 12;57(11):4487-97. doi: 10.1021/jm401931e. Epub 2014 Apr 16. PMID: 24694071.