WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465512
Description: JNJ-61803534 is a novel potent RORγt inverse agonist, selectively inhibiting RORγt-driven transcription versus closely-related family members, RORα and RORβ, also inhibiting IL-17A production in human CD4+ T cells under Th17 differentiation conditions, but not inhibiting IFNγ production under Th1 differentiation conditions, and having neither impact on in vitro differentiation of regulatory T cells (Treg), nor on the suppressive activity of natural Tregs.
MedKoo Cat#: 465512
Chemical Formula: C23H23Cl2F6N3O4S
Exact Mass: 621.0691
Molecular Weight: 622.4044
Elemental Analysis: C, 44.38; H, 3.72; Cl, 11.39; F, 18.31; N, 6.75; O, 10.28; S, 5.15
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Synonym: JNJ-61803534; JNJ 61803534; JNJ61803534;
IUPAC/Chemical Name: (R)-5-(2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2-hydroxy-2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)thiazole-2-carboxamide
InChi Key: ZQHVEGQHOKDZEN-SNVBAGLBSA-N
InChi Code: InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m1/s1
SMILES Code: O=C(C1=NC(C(N2[C@H](C)CCC2)=O)=C(C3=CC=C(C(C(F)(F)F)(O)C(F)(F)F)C(Cl)=C3Cl)S1)NCC(C)(O)C
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 622.4044 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: Xue X, De Leon-Tabaldo A, Luna-Roman R, Castro G, Albers M, Schoetens F, DePrimo S, Devineni D, Wilde T, Goldberg S, Hoffmann T, Fourie AM, Thurmond RL. Preclinical and clinical characterization of the RORγt inhibitor JNJ-61803534. Sci Rep. 2021 May 26;11(1):11066. doi: 10.1038/s41598-021-90497-9. PMID: 34040108; PMCID: PMC8155022.