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EOS-984

CAT: 0013-GTR19236206-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236206-01Size:25 mg
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Description
EOS-984 is a potent and selective equilibrative nucleoside transporter 1 (ENT1) inhibitor. By blocking adenosine uptake, it reverses adenosine-mediated T-cell suppression and is a valuable tool for immuno-oncology research, including in vitro T-cell activation assays and in vivo solid tumor studies.
CAS Number
2724937-55-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C) C=1C2=CC (=CC1OC) C (=O) NCCCN3CCN (CC[C@H] (OC (=O) C4=CC (OC) =C (OC) C (OC) =C4) CCCO2) CCC3
Molecular Formula
C33H47N3O9
Molecular Weight
629.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
CAS Number2724937-55-5
PubChem CID156881893
IUPAC Name[(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
Molecular FormulaC33H47N3O9
Molecular Weight629.7
XLogP4
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity883
SMILES
COC1=CC2=CC(=C1OC)OCCC[C@H](CCN3CCCN(CCCNC2=O)CC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C33H47N3O9/c1-39-26-19-23-20-29(31(26)43-5)44-18-6-9-25(45-33(38)24-21-27(40-2)30(42-4)28(22-24)41-3)10-15-36-14-8-13-35(16-17-36)12-7-11-34-32(23)37/h19-22,25H,6-18H2,1-5H3,(H,34,37)/t25-/m1/s1
InChIKey
VIUYKJLZCCMVQW-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of [(16R)-9,10-dimethoxy-6-oxo-12-oxa-1,5,19-triazatricyclo[17.3.2.17,11]pentacosa-7(25),8,10-trien-16-yl] 3,4,5-trimethoxybenzoate
CAS: 2724937-55-5
CID: 156881893
Formula: C33H47N3O9
MW: 629.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.7
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass629.33123009
Monoisotopic Mass629.33123009
Topological Polar Surface Area117 Ų
Heavy Atom Count45
Formal Charge0
Complexity883
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

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