WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H596775
CAS#: 161161-54-2
Description: GR 122222X is a topoisomerase II Inhibitor.
Hodoodo Cat#: H596775
Name: GR 122222X
CAS#: 161161-54-2
Chemical Formula: C26H35N5O11S2
Exact Mass: 657.18
Molecular Weight: 657.710
Elemental Analysis: C, 47.48; H, 5.36; N, 10.65; O, 26.76; S, 9.75
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Synonym: GR 122222X; GR-122222X; GR122222X;
IUPAC/Chemical Name: (S)-2-((S)-2-amino-N-((R)-2-((S)-3-hydroxy-2-((2S,3R)-3-hydroxypyrrolidine-2-carboxamido)propanamido)-3-thioxopropanoyl)propanamido)propanoic 3,5-dihydroxy-2-(mercaptomethyl)-6-methylbenzoic anhydride
InChi Key: NKIYYTUDHBVJTH-UBOLUKANSA-N
InChi Code: InChI=1S/C26H35N5O11S2/c1-10-17(34)6-18(35)13(8-43)19(10)26(41)42-25(40)12(3)31(23(38)11(2)27)24(39)15(9-44)30-21(36)14(7-32)29-22(37)20-16(33)4-5-28-20/h6,9,11-12,14-16,20,28,32-35,43H,4-5,7-8,27H2,1-3H3,(H,29,37)(H,30,36)/t11-,12-,14-,15-,16+,20-/m0/s1
SMILES Code: Cc1c(C(OC([C@@H](N(C([C@@H](NC([C@@H](NC([C@@H]2[C@H](O)CCN2)=O)CO)=O)C=S)=O)C([C@@H](N)C)=O)C)=O)=O)c(CS)c(O)cc1O
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 657.71 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: Saíz-Urra L, Cabrera Pérez MÁ, Helguera AM, Froeyen M. Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives. Eur J Med Chem. 2011 Jul;46(7):2736-47. doi: 10.1016/j.ejmech.2011.03.061. Epub 2011 Apr 5. PubMed PMID: 21530019.
2: Gevi M, Domenici E. A scintillation proximity assay amenable for screening and characterization of DNA gyrase B subunit inhibitors. Anal Biochem. 2002 Jan 1;300(1):34-9. PubMed PMID: 11743689.
3: Lewis RJ, Singh OM, Smith CV, Skarzynski T, Maxwell A, Wonacott AJ, Wigley DB. The nature of inhibition of DNA gyrase by the coumarins and the cyclothialidines revealed by X-ray crystallography. EMBO J. 1996 Mar 15;15(6):1412-20. PubMed PMID: 8635474; PubMed Central PMCID: PMC450046.
4: Oram M, Dosanjh B, Gormley NA, Smith CV, Fisher LM, Maxwell A, Duncan K. Mode of action of GR122222X, a novel inhibitor of bacterial DNA gyrase. Antimicrob Agents Chemother. 1996 Feb;40(2):473-6. PubMed PMID: 8834902; PubMed Central PMCID: PMC163138.
5: Lewis RJ, Singh OM, Smith CV, Maxwell A, Skarzynski T, Wonacott AJ, Wigley DB. Crystallization of inhibitor complexes of an N-terminal 24 kDa fragment of the DNA gyrase B protein. J Mol Biol. 1994 Aug 5;241(1):128-30. PubMed PMID: 8051702.