WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H413996
CAS#: 101312-92-9 (free base)
Description: Valnemulin Free Base is a pleuromutilin antibiotic used to treat swine dysentery, ileitis, colitis and pneumonia. It is also used for the prevention of intestinal infections of swine.
Hodoodo Cat#: H413996
Name: Valnemulin Free Base
CAS#: 101312-92-9 (free base)
Chemical Formula: C31H51N2O6S•
Exact Mass: 579.35
Molecular Weight: 579.820
Elemental Analysis: C, 64.22; H, 8.87; N, 4.83; O, 16.56; S, 5.53
Related CAS #: 101312-92-9 (free base); 133868-46-9 (HCl)
Synonym: Valnemulin Free Base; Econor
IUPAC/Chemical Name: ((2-((R)-2-Amino-3-methylbutyramido)-1,1-dimethylethyl)thio)acetic acid, 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one
InChi Key: SZPQALOOEMAOMO-HPSFYIOBSA-N
InChi Code: InChI=1S/C31H51N2O6S/c1-10-28(8)15-22(35)29(9)19(4)11-13-30(20(5)25(28)37)14-12-21(34)31(29,30)39-23(36)16-40-27(6,7)17-33-26(38)24(32)18(2)3/h10,18-20,24-25,35,37H,1,11-17,32H2,2-9H3,(H,33,38)/t19-,20+,24-,25+,28-,29+,30+,31-/m1/s1
SMILES Code: O=C1CC[C@]23[C@]1(OC(CSC(C)(C)CNC([C@H](N)C(C)C)=O)=O)[C@]([C@H](C)CC3)(C)[C](O)C[C@](C=C)(C)[C@@H](O)[C@@H]2C
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: 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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 579.82 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Dong X, Shu X, Wang Y, Niu Z, Xu S, Zhang Y, Zhao S. Synthesis, characterization and in vitro release performance of the pegylated valnemulin prodrug. J Vet Med Sci. 2018 Feb 2;80(1):173-180. doi: 10.1292/jvms.17-0434. Epub 2017 Nov 28. PMID: 29187697; PMCID: PMC5797878.
2: Zhu X, Xu S, Lu L, Wang S, Zhao Q, Li D, Li J, Zhao H, Xu B. Preparation, characterization, and in vivo evaluation of a polymorphic form of valnemulin hydrogen tartrate. J Vet Sci. 2019 Mar;20(2):e16. doi: 10.4142/jvs.2019.20.e16. Epub 2019 Mar 22. PMID: 30944538; PMCID: PMC6441808.
3: Zhu X, Xu S, Xu Q. Preparation of valnemulin hydrogen fumarate and its enhanced stability compared with valnemulin hydrochloride. Pharm Dev Technol. 2016;21(3):338-45. doi: 10.3109/10837450.2014.1003656. Epub 2015 Jan 19. PMID: 25597619.
4: Zhang X, Li H, Feng H, Xiong H, Zhang L, Song Y, Yu L, Deng X. Valnemulin downregulates nitric oxide, prostaglandin E2, and cytokine production via inhibition of NF-kappaB and MAPK activity. Int Immunopharmacol. 2009 Jul;9(7-8):810-6. doi: 10.1016/j.intimp.2009.02.018. Epub 2009 Mar 16. PMID: 19293003.
5: Tao MT, Zhou YF, Sun J, Liu YH, Liao XP. Establishment of valnemulin susceptibility breakpoint against Clostridium perfringens in rabbits. Anaerobe. 2017 Dec;48:118-120. doi: 10.1016/j.anaerobe.2017.08.006. Epub 2017 Aug 9. PMID: 28801120.
6: Xiao X, Sun J, Yang T, Fang X, Wu D, Xiong YQ, Cheng J, Chen Y, Shi W, Liu YH. In vivo pharmacokinetic/pharmacodynamic profiles of valnemulin in an experimental intratracheal Mycoplasma gallisepticum infection model. Antimicrob Agents Chemother. 2015 Jul;59(7):3754-60. doi: 10.1128/AAC.00200-15. Epub 2015 Apr 6. PMID: 25845865; PMCID: PMC4468724.
7: Huang Z, Mao C, Wei Y, Gu X, Cai Q, Shen X, Ding H. Analysis of the mutant selection window and killing of Mycoplasma hyopneumoniae for doxycycline, tylosin, danofloxacin, tiamulin, and valnemulin. PLoS One. 2020 Jun 16;15(6):e0220350. doi: 10.1371/journal.pone.0220350. PMID: 32544163; PMCID: PMC7297357.
8: Chen Z, Zhang X, Chu X, Zhang X, Song K, Jiang Y, Yu L, Deng X. Preventive effects of valnemulin on lipopolysaccharide-induced acute lung injury in mice. Inflammation. 2010 Oct;33(5):306-14. doi: 10.1007/s10753-010-9186-3. PMID: 20221680.
9: Sun F, Fan R, Wang J, Xiong L, Shen J, Zhang S, Cao X. Pharmacokinetics of valnemulin after intravenous, intramuscular, and oral administration in layer chickens. J Vet Pharmacol Ther. 2017 Aug;40(4):415-418. doi: 10.1111/jvp.12389. Epub 2017 Feb 15. PMID: 28205246.
10: Zhao DH, Zhang Z, Zhang CY, Liu ZC, Deng H, Yu JJ, Guo JP, Liu YH. Population pharmacokinetics of valnemulin in swine. J Vet Pharmacol Ther. 2014 Feb;37(1):59-65. doi: 10.1111/jvp.12054. Epub 2013 Apr 26. PMID: 23617793.