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HEI3090

CAT: 0013-GTR19238013-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238013-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HEI3090 is a P2X7R agonist that stimulates dendritic cells to produce IL-18, thereby enhancing IFN-γ production by NK and CD4 T cells to promote anti-tumor immunity. It has been studied in vitro and in vivo, showing potential to improve αPD-1 therapy efficacy in non-small cell lung cancer (NSCLC) models.
CAS Number
2377167-56-9
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
C (NC=1C=CC (Cl) =NC1) (=O) N2[C@H] (C (NCC3=C (Cl) C=C (Cl) C=C3) =O) CCC2=O
Molecular Formula
C18H15Cl3N4O3
Molecular Weight
441.70
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-1-N-(6-chloro-3-pyridinyl)-2-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CAS Number2377167-56-9
PubChem CID139534072
IUPAC Name(2S)-1-N-(6-chloro-3-pyridinyl)-2-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
Molecular FormulaC18H15Cl3N4O3
Molecular Weight441.7
XLogP3
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity609
SMILES
C1CC(=O)N([C@@H]1C(=O)NCC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CN=C(C=C3)Cl
InChI
InChI=1S/C18H15Cl3N4O3/c19-11-2-1-10(13(20)7-11)8-23-17(27)14-4-6-16(26)25(14)18(28)24-12-3-5-15(21)22-9-12/h1-3,5,7,9,14H,4,6,8H2,(H,23,27)(H,24,28)/t14-/m0/s1
InChIKey
XFDLAUDFTNZPNJ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (2S)-1-N-(6-chloro-3-pyridinyl)-2-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CAS: 2377167-56-9
CID: 139534072
Formula: C18H15Cl3N4O3
MW: 441.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.7
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass440.020973
Monoisotopic Mass440.020973
Topological Polar Surface Area91.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity609
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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CatalogName
T89862-01HEI3090

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