WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 585097
CAS#: 2160582-57-8 (free base)
Description: Obafistat is an aldo-keto reductase AKR1C3 inhibitor.
MedKoo Cat#: 585097
Name: Obafistat
CAS#: 2160582-57-8 (free base)
Chemical Formula: C15H16FN5O3S
Exact Mass: 365.0958
Molecular Weight: 365.3834
Elemental Analysis: C, 49.31; H, 4.41; F, 5.20; N, 19.17; O, 13.14; S, 8.77
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 2160584-07-4 (Na); 2160582-57-8 (free base)
Synonym: Obafistat
IUPAC/Chemical Name: [8-(3-fluorobenzene-1-sulfonyl)-3,8- diazabicyclo[3.2.1]octan-3-yl](1H-1,2,3-triazol-4- yl)methanone
InChi Key: MQFQQVWKRIYYPY-UHFFFAOYSA-N
InChi Code: InChI=1S/C15H16FN5O3S/c16-10-2-1-3-13(6-10)25(23,24)21-11-4-5-12(21)9-20(8-11)15(22)14-7-17-19-18-14/h1-3,6-7,11-12H,4-5,8-9H2,(H,17,18,19)
SMILES Code: O=C(N1CC(N2S(=O)(C3=CC=CC(F)=C3)=O)CCC2C1)C4=CNN=N4
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
The following data is based on the product molecular weight 365.3834 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 |
