WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H555151
CAS#: Unknown
Description: BIO399 is a RORγt inverse agonist.
Hodoodo Cat#: H555151
Name: BIO399
CAS#: Unknown
Chemical Formula: C23H27F3N2O4S
Exact Mass: 484.16
Molecular Weight: 484.534
Elemental Analysis: C, 57.01; H, 5.62; F, 11.76; N, 5.78; O, 13.21; S, 6.62
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Synonym: BIO399; BIO 399; BIO 399;
IUPAC/Chemical Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
InChi Key: NWOKNZFZDJIXMB-UHFFFAOYSA-N
InChi Code: InChI=1S/C23H27F3N2O4S/c1-6-27-19-10-8-17(12-20(19)32-14-22(4,5)21(27)29)28(13-23(24,25)26)33(30,31)18-9-7-15(2)16(3)11-18/h7-12H,6,13-14H2,1-5H3
SMILES Code: CCN(C1=CC=C(N(S(C2=CC=C(C)C(C)=C2)(=O)=O)CC(F)(F)F)C=C1OCC3(C)C)C3=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: >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 484.53 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: Marcotte DJ, Liu Y, Little K, Jones JH, Powell NA, Wildes CP, Silvian LF,
Chodaparambil JV. Structural determinant for inducing RORgamma specific inverse
agonism triggered by a synthetic benzoxazinone ligand. BMC Struct Biol. 2016 Jun
1;16(1):7. doi: 10.1186/s12900-016-0059-3. PubMed PMID: 27246200; PubMed Central
PMCID: PMC4888278.