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Linrodostat (BMS-986205) - 98%, high purity , CAS No.1923833-60-6, Inhibitor of indoleamine 2;3-dioxygenase 1

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1923833-60-6
Molecular Weight: 410.91
PubChem CID: 121328278
PubChem SID: 504772947

In stock

Item Number

L414088

Grouped product items
SKU	Size	Availability	Price
L414088-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
L414088-10mg	10mg	3	$97.90
L414088-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$195.90
L414088-50mg	50mg	2	$325.90
L414088-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$521.90

IDO/TDO Inhibitors

View related series

Amino Acid/Protein Metabolism (1836) Indoleamine 2,3-Dioxygenase (IDO) (59) indoleamine 2，3-dioxygenase 1 Inhibitor (13) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	ONO7701 \| ONO-7701 \| ONO 7701 \| s8629 \| 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-?-D-ribofuranuronamide \| Linrodostat \| SCHEMBL21374258 \| (R)-N-(4-chlorophenyl)-2-((1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanamide;(R)-N-(4-chlorophenyl)-2-((1s,4S)-
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Linrodostat (BMS-986205, ONO-7701) is an irreversible inhibitor of IDO1 with an IC50 of 1.7 nM. It inhibits kynurenine production with IC50 values of 1.7, 1.1 and > 2000 in human HeLa, HEK293 expressing human IDO-1 and tryptophan-2, 3-dioxygenase cell-
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of indoleamine 2;3-dioxygenase 1
Product Description	Information Linrodostat (BMS-986205) Linrodostat (BMS-986205, ONO-7701) is an irreversible inhibitor of IDO1 with an IC50 of 1.7 nM. It inhibits kynurenine production with IC50 values of 1.7, 1.1 and > 2000 in human HeLa, HEK293 expressing human IDO-1 and tryptophan-2, 3-dioxygenase cell-based assays. Targets IDO1 (Cell-free assay) 1.7 nM In vitro BMS-986205 exhibits potent inhibition of kynurenine (kyn) production in IDO1-HEK293 cells (IC50 = 1.1 nM) but not in TDO-HEK293 cells. It is an irreversible suicide inhibitor. Product description： BMS-986205 is a selective indoleamine 2,3-dioxygenase 1 (IDO1) inhibitor.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Haloquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Haloquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Haloquinolines
Alternative Parents	Menthane monoterpenoids Bicyclic monoterpenoids Aromatic monoterpenoids Anilides N-arylamides Chlorobenzenes Pyridines and derivatives Aryl fluorides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Haloquinoline - P-menthane monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Aromatic monoterpenoid - Anilide - N-arylamide - Halobenzene - Chlorobenzene - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

IDO1 Tchem Indoleamine 2,3-dioxygenase 1 (0 Activities)

Discover Target: IDO1

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

Names and Identifiers

Pubchem Sid	504772947
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772947
IUPAC Name	(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
INCHI	InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
InChIKey	KRTIYQIPSAGSBP-KLAILNCOSA-N
Smiles	CC(C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl
Isomeric SMILES	C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl
Alternate CAS	1923833-60-6
MeSH Entry Terms	(2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide;BMS-986205;Cyclohexaneacetamide, N-(4-chlorophenyl)-4-(6-fluoro-4-quinolinyl)-\u03b1-methyl-, cis-;linrodostat
Molecular Weight	410.91
Reaxy-Rn	39662458
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39662458&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
G2216555	Certificate of Analysis	Apr 07, 2025	L414088
G2216554	Certificate of Analysis	Apr 07, 2025	L414088
G2216556	Certificate of Analysis	Apr 07, 2025	L414088
L2420464	Certificate of Analysis	Jun 07, 2022	L414088

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 82 mg/mL (199.55 mM); Ethanol: 82 mg/mL (199.55 mM); Water: Insoluble;
Molecular Weight	410.900 g/mol
XLogP3	6.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	410.156 Da
Monoisotopic Mass	410.156 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	545.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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