WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H463205
CAS#: 265667-22-9
Description: E-2101 is a novel antispastic drug.
Hodoodo Cat#: H463205
Name: E-2101
CAS#: 265667-22-9
Chemical Formula: C24H28FN3O
Exact Mass: 393.22
Molecular Weight: 393.506
Elemental Analysis: C, 73.26; H, 7.17; F, 4.83; N, 10.68; O, 4.07
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Synonym: E-2101; E2101; E 2101;
IUPAC/Chemical Name: 2-(1-(1-(2-fluorophenethyl)piperidin-4-yl)-1H-indol-6-yl)-N-methylacetamide
InChi Key: CQEOXWCXSBFJMB-UHFFFAOYSA-N
InChi Code: InChI=1S/C24H28FN3O/c1-26-24(29)17-18-6-7-20-9-15-28(23(20)16-18)21-10-13-27(14-11-21)12-8-19-4-2-3-5-22(19)25/h2-7,9,15-16,21H,8,10-14,17H2,1H3,(H,26,29)
SMILES Code: CNC(Cc(cc1)cc2c1ccn2C3CCN(CC3)CCc4c(F)cccc4)=O
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: >3 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 393.51 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: Kushida I, Ashizawa K. Solid state characterization of E2101, a novel antispastic drug. J Pharm Sci. 2002 Oct;91(10):2193-202. doi: 10.1002/jps.10211. PMID: 12226846.
2: Zhang ZY, King BM, Mollova NN, Wong YN. In vitro interactions between a potential muscle relaxant E2101 and human cytochromes P450. Drug Metab Dispos. 2002 Jul;30(7):805-13. doi: 10.1124/dmd.30.7.805. PMID: 12065439.