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Navoximod phosphate

CAT: 0013-GTR19209801-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209801-02Size:50 mg
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Description
Navoximod phosphate is a small molecule inhibitor of indoleamine 2,3-dioxygenase (IDO) with immunomodulatory and potential antineoplastic properties. It is utilized in research to study cancer immunology and immunotherapy, with applications in both in vitro assays and in vivo tumor models.
CAS Number
1793075-63-4
Smiles
OP (O) (O) =O.[H][C@@]1 (CC[C@H] (O) CC1) [C@H] (O) C[C@H]1c2c (cccc2F) -c2cncn12
Molecular Formula
C18H24FN2O6P
Molecular Weight
414.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Navoximod phosphate
CAS Number1793075-63-4
PubChem CID121488180
IUPAC Name4-[(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol;phosphoric acid
Molecular FormulaC18H24FN2O6P
Molecular Weight414.4
Topological Polar Surface Area136
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity466
SMILES
C1CC(CCC1[C@@H](C[C@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O.OP(=O)(O)O
InChI
InChI=1S/C18H21FN2O2.H3O4P/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;1-5(2,3)4/h1-3,9-12,15,17,22-23H,4-8H2;(H3,1,2,3,4)/t11?,12?,15-,17+;/m0./s1
InChIKey
GJKNKBNFVIDKPJ-YJPKOLKOSA-N
Chemical Structure
2D Structure
2D structure of Navoximod phosphate
CAS: 1793075-63-4
CID: 121488180
Formula: C18H24FN2O6P
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass414.13560165
Monoisotopic Mass414.13560165
Topological Polar Surface Area136 Ų
Heavy Atom Count28
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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