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D18

CAT: 0931-T61390-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61390-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230218-36-5
Target
Others, TLR, PD-1/PD-L1
Related Pathways
Immunology/Inflammation, Apoptosis, Cell Cycle/Checkpoint, Others
Bioactivity
D18 is an immune modulator that acts as a dual agonist for TLR7/8 (with EC50 values of 24 nM for hTLR7 and 10 nM for hTLR8, respectively) . It enhances the expression of PD-L1 through epigenetic regulation, thereby increasing the sensitivity of tumors to PD-1/PD-L1 blockade. Additionally, D18 functions as a cytotoxin for ADC synthesis, specifically for the ADC HE-S2 [1].
Smiles
N(CCCC)C=1C2=C(C=CC(CC3=CC=C(CN(C)C)C=C3)=N2)N=C(N)N1
Molecular Formula
C21H28N6
Molecular Weight
364.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 147429730
CAS Number2230218-36-5
PubChem CID147429730
IUPAC Name4-N-butyl-6-[[4-[(dimethylamino)methyl]phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
Molecular FormulaC21H28N6
Molecular Weight364.5
XLogP3.6
Topological Polar Surface Area80
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity423
SMILES
CCCCNC1=NC(=NC2=C1N=C(C=C2)CC3=CC=C(C=C3)CN(C)C)N
InChI
InChI=1S/C21H28N6/c1-4-5-12-23-20-19-18(25-21(22)26-20)11-10-17(24-19)13-15-6-8-16(9-7-15)14-27(2)3/h6-11H,4-5,12-14H2,1-3H3,(H3,22,23,25,26)
InChIKey
DUCCCPVHDPRCEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 147429730
CAS: 2230218-36-5
CID: 147429730
Formula: C21H28N6
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass364.23754492
Monoisotopic Mass364.23754492
Topological Polar Surface Area80 Ų
Heavy Atom Count27
Formal Charge0
Complexity423
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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