Vimirogant

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

MedKoo CAT#: 555290

CAS#: 1802706-04-2

Description: Vimirogant, also known as AGN-242428 and VTP-43742, is a potent, selective and orally active RORγt inhibitor for the treatment of autoimmune disorders, including multiple sclerosis and psoriasis.


Price and Availability

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Vimirogant is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 555290
Name: Vimirogant
CAS#: 1802706-04-2
Chemical Formula: C27H35F3N4O3S
Exact Mass: 552.2382
Molecular Weight: 552.6572
Elemental Analysis: C, 58.68; H, 6.38; F, 10.31; N, 10.14; O, 8.68; S, 5.80


Synonym: Vimirogant; VTP-43742; VTP 43742; VTP43742; AGN-242428; AGN242428; AGN 242428.

IUPAC/Chemical Name: (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide

InChi Key: XUYMIRYNRKXKOR-HMHJJOSWSA-N

InChi Code: InChI=1S/C27H35F3N4O3S/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30/h9-12,14,17-18,21,25H,4-8,13,15-16H2,1-3H3,(H,33,35)/t18-,21-,25-/m0/s1

SMILES Code: O=C(C1=CN=C([C@H](C(C)C)N(C[C@H]2CC[C@H](C(F)(F)F)CC2)C3)C3=C1)NCC4=NC=C(S(=O)(CC)=O)C=C4


Technical Data

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).

Harmonized System Code:
2934.99.90.01


References

1: Pandya VB, Kumar S, Sachchidanand S, Sharma R, Desai RC. Combating Autoimmune
Diseases With Retinoic Acid Receptor-Related Orphan Receptor-γ (RORγ or RORc)
Inhibitors: Hits and Misses. J Med Chem. 2018 Jul 16. doi:
10.1021/acs.jmedchem.8b00588. [Epub ahead of print] PubMed PMID: 30010338.

2: Gege C. RORγt inhibitors as potential back-ups for the phase II candidate
VTP-43742 from Vitae Pharmaceuticals: patent evaluation of WO2016061160 and
US20160122345. Expert Opin Ther Pat. 2017 Jan;27(1):1-8. Epub 2016 Nov 25. PubMed
PMID: 27852111.

3: Gege C. Retinoid-related orphan receptor gamma t (RORγt) inhibitors from Vitae
Pharmaceuticals (WO2015116904) and structure proposal for their Phase I candidate
VTP-43742. Expert Opin Ther Pat. 2016 Jun;26(6):737-44. doi:
10.1517/13543776.2016.1153066. Epub 2016 Mar 4. PubMed PMID: 26895086.