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IDO inhibitor 1

CAT: 0607-A3483-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3483-50Size:50 mg
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Description
Indoleamine-2,3-dioxygenase inhibitor
CAS Number
1204669-37-3
Product Name Alternative
(E)-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-((2-(sulfamoylamino)ethyl)amino)-1,2,5-oxadiazole-3-carboximidamide
Field of Research
Metabolism IDO
Purity
0.9983
Form
A solid
Solubility
insoluble in H2O; ≥19.35 mg/mL in DMSO; ≥34.75 mg/mL in EtOH with ultrasonic
Smiles
BrC1=CC(/N=C(NO)\C2=NON=C2NCCNS(=O)(N)=O)=CC=C1F
Molecular Formula
C11H13BrFN7O4S
Molecular Weight
438.23
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Incb24360

Epacadostat has been used in trials studying the treatment of HL, Melanoma, Glioblastoma, Mucosal Melanoma, and Ovarian Carcinoma, among others.

CAS Number1204669-37-3
PubChem CID135564890
IUPAC NameN'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
Molecular FormulaC11H13BrFN7O4S
Molecular Weight438.24
XLogP0.8
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity563
SMILES
C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F
InChI
InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
InChIKey
FBKMWOJEPMPVTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Incb24360
CAS: 1204669-37-3
CID: 135564890
Formula: C11H13BrFN7O4S
MW: 438.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.24
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass436.99171
Monoisotopic Mass436.99171
Topological Polar Surface Area176 Ų
Heavy Atom Count25
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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