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Navoximod

CAT: 1568-C13816-02Size: 10 mM / 1 mLDry Ice: NoHazardous: No
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CAT#:1568-C13816-02Size:10 mM / 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1402837-78-8
Synonyms
GDC-0919, NLG-919
SKU
C13816-5mg
Target
IDO/TDO
Applications
Metabolism
Smiles
C1CC (CCC1C (CC2C3=C (C=CC=C3F) C4=CN=CN24) O) O
Molecular Formula
C18H21FN2O2
Additionnal Information
Navoximod (GDC-0919, NLG-919) is a potent inhibitor of IDO (indoleamine- (2,3) -dioxygenase) pathway with Ki of 7 nM and EC50 of 75 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol

Navoximod is under investigation in clinical trial NCT02048709 (Indoleamine 2,3-Dioxygenase (IDO) Inhibitor in Advanced Solid Tumors).

CAS Number1402837-78-8
PubChem CID70914230
IUPAC Name4-[(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
Molecular FormulaC18H21FN2O2
Molecular Weight316.4
XLogP2.1
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity416
SMILES
C1CC(CCC1[C@@H](C[C@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O
InChI
InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17+/m0/s1
InChIKey
YGACXVRLDHEXKY-LHPNLFKDSA-N
Chemical Structure
2D Structure
2D structure of trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CAS: 1402837-78-8
CID: 70914230
Formula: C18H21FN2O2
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass316.15870608
Monoisotopic Mass316.15870608
Topological Polar Surface Area58.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-18770B-01Navoximod
MBS5812731Navoximod phosphate
327017Navoximod free base
A22549-100Navoximod free base 100mg
A22549-25Navoximod free base 25mg
A22549-50Navoximod free base 50mg
A22549-5Navoximod free base 5mg
A22549-10Navoximod free base 10mg
A22549-1Navoximod free base 1mg
A22549-10mM-DNavoximod free base 10mM * 1mL in DMSO

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