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MedKoo Cat#: 462216 | Name: RORγt Inverse agonist 10

Description:

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

RORγt Inverse agonist 10 is a potent and orally bioavailable RORγt (retinoic acid receptor-related orphan nuclear receptor gamma t) inverse agonist. RORγt is a major transcription factor of genes related to psoriasis pathogenesis such as IL-17A, IL-22, and IL-23R.

Chemical Structure

RORγt Inverse agonist 10
RORγt Inverse agonist 10
CAS# 2413986-35-1

Theoretical Analysis

MedKoo Cat#: 462216

Name: RORγt Inverse agonist 10

CAS#: 2413986-35-1

Chemical Formula: C25H26F6N6O3

Exact Mass: 572.1971

Molecular Weight: 572.51

Elemental Analysis: C, 52.45; H, 4.58; F, 19.91; N, 14.68; O, 8.38

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.
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Related CAS #
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Synonym
RORγt Inverse agonist 10
IUPAC/Chemical Name
6-methyl-N-(7-methyl-8-(((2S,4S)-2-methyl-1-(4,4,4-trifluoro-3-(trifluoromethyl)butanoyl)piperidin-4-yl)oxy)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)nicotinamide
InChi Key
FUKNWBDJYWPXRK-YOEHRIQHSA-N
InChi Code
InChI=1S/C25H26F6N6O3/c1-13-4-5-16(10-32-13)23(39)35-18-11-37-22(33-12-34-37)21(15(18)3)40-17-6-7-36(14(2)8-17)20(38)9-19(24(26,27)28)25(29,30)31/h4-5,10-12,14,17,19H,6-9H2,1-3H3,(H,35,39)/t14-,17-/m0/s1
SMILES Code
O=C(CC(C(F)(F)F)C(F)(F)F)N1[C@@H](C)C[C@@H](OC2=C(C)C(NC(C3=CN=C(C)C=C3)=O)=CN4C2=NC=N4)CC1
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

Preparing Stock Solutions

The following data is based on the product molecular weight 572.51 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.

Recalculate based on batch purity %
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: Nakajima R, Oono H, Sugiyama S, et al. Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable RORγt Inverse Agonists. ACS Med Chem Lett. 2020;11(4):528-534. Published 2020 Feb 27. doi:10.1021/acsmedchemlett.9b00649

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