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(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

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(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

Moligand™

PubChem CID: 72943563

Item Number

S609003

Grouped product items
SKU	Size	Availability	Price	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

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Basic Description

Synonyms	example 6B [WO2014028600A2];compound 25
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of RAR-related orphan receptor-γ

Associated Targets(Human)

RORC Tchem Nuclear receptor ROR-gamma (3 Activities)

Discover Target: RORC

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Database links

PubChem CID	72943563
BindingDB Ligand	329724
RCSB PDB Ligand	Q3Y

Certificates

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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]

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