BIO399 | CAS# | RORγt inverse agonist

MedKoo Cat#: 555151 | Name: BIO399

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BIO399 is a RORγt inverse agonist.

Chemical Structure

BIO399

CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 555151

Name: BIO399

CAS#: Unknown

Chemical Formula: C23H27F3N2O4S

Exact Mass: 484.1644

Molecular Weight: 484.53

Elemental Analysis: C, 57.01; H, 5.62; F, 11.76; N, 5.78; O, 13.21; S, 6.62

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

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

Instruction

View handling instruction

Preparing Stock Solutions

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

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.