WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465355
CAS#: unknown
Description: ZY12201 is a novel potent and orally bioavailable TGR5 agonist.
MedKoo Cat#: 465355
Name: ZY12201
CAS#: unknown
Chemical Formula: C31H31FN4O3S
Exact Mass: 558.2101
Molecular Weight: 558.6724
Elemental Analysis: C, 66.65; H, 5.59; F, 3.40; N, 10.03; O, 8.59; S, 5.74
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Synonym: ZY12201; ZY 12201; ZY-12201;
IUPAC/Chemical Name: 2-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)thio)-5-(2-(3,4-dimethoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazole
InChi Key: ZRQBEFYILDBORB-UHFFFAOYSA-N
InChi Code: InChI=1S/C31H31FN4O3S/c1-31(2,22-5-14-27(37-3)28(19-22)38-4)29-20-34-30(36(29)25-8-6-23(32)7-9-25)40-18-17-39-26-12-10-24(11-13-26)35-16-15-33-21-35/h5-16,19-21H,17-18H2,1-4H3
SMILES Code: FC1=CC=C(N2C(C(C)(C3=CC=C(OC)C(OC)=C3)C)=CN=C2SCCOC4=CC=C(N5C=CN=C5)C=C4)C=C1
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
The following data is based on the product molecular weight 558.6724 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: Sojitra C, Dholakia C, Sudhakar P, Singh KK, Agarwal S. Identification of degradation impurity of TGR5 receptor agonist-ZY12201 by LC-MS technique during force degradation study. SN Appl Sci. 2021;3(6):660. doi: 10.1007/s42452-021-04660-y. Epub 2021 May 25. PMID: 34056545; PMCID: PMC8144688.
