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Linrodostat

CAT: 0931-T4532-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T4532-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1923833-60-6
Target
Indoleamine 2,3-Dioxygenase (IDO), IDO
Related Pathways
Metabolism
Purity
0.9984
Bioactivity
Linrodostat (BMS-986205) is a selective inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) .
Smiles
C[C@H]([C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12)C(=O)Nc1ccc(Cl)cc1
Molecular Formula
C24H24ClFN2O
Molecular Weight
410.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide

Linrodostat is under investigation in clinical trial NCT03247283 (Pharmacokinetics and Metabolism Study in Healthy Male Participants).

CAS Number1923833-60-6
PubChem CID121328278
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
Molecular FormulaC24H24ClFN2O
Molecular Weight410.9
XLogP6.5
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity545
SMILES
C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl
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
Chemical Structure
2D Structure
2D structure of (2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide
CAS: 1923833-60-6
CID: 121328278
Formula: C24H24ClFN2O
MW: 410.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.9
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass410.1561192
Monoisotopic Mass410.1561192
Topological Polar Surface Area42 Ų
Heavy Atom Count29
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19159927-01Linrodostat
GTR19188438-01Linrodostat mesylate
HY-101560RLinrodostat (Standard)
HY-101560ALinrodostat (mesylate)
C13549-10mM/1mLLinrodostat (BMS-986205)

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