(3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzoyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid , CAS No.S609003, Allosteric modulator of RAR-related orphan receptor-γ

Item Number
S609003
Grouped product items
SKUSizeAvailabilityPrice Qty
S609003-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
S609003-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

Specifications & PurityMoligand™
GradeMoligand™
Action TypeALLOSTERIC MODULATOR
Mechanism of actionAllosteric modulator of RAR-related orphan receptor-γ

Associated Targets(Human)

RORC Tchem Nuclear receptor ROR-gamma (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzoyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid
INCHI InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1
InChi Key IBIKHMZPHNKTHM-RDTXWAMCSA-N
Canonical SMILES OC(=O)[C@@H]1CCN(C[C@H]1O)c1nn(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C1CC1
Isomeric SMILES C1CN(C[C@H]([C@@H]1C(=O)O)O)C2=NN(C3=C2C(=CC=C3)F)C(=O)C4=C(C=CC=C4Cl)C5CC5
PubChem CID 72943563

Certificates

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Related Documents

References

1. Zhang H, Lapointe BT, Anthony N, Azevedo R, Cals J, Correll CC, Daniels M, Deshmukh S, van Eenenaam H, Ferguson H et al..  (2020)  Discovery of N-(Indazol-3-yl)piperidine-4-carboxylic Acids as RORγt Allosteric Inhibitors for Autoimmune Diseases..  ACS Med Chem Lett,  11  (2): (114-119).  [PMID:32071676] [10.1021/acsmedchemlett.9b00431]

Solution Calculators