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UM-3006

CAT: 0804-HY-159919Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159919Size:1 Each
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Description
UM-3006 is a highly efficient TLR7/8 agonist that enhances immune responses by activating the TLR signaling pathway. UM-3006 holds significant research and application potential in the fields of vaccine adjuvants and immune diseases[1].
CAS Number
1927013-87-3
UNSPSC
12352005
Target
Toll-like Receptor (TLR)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/um-3006.html
Smiles
O=C(N(C1=NC(O[C@@H](C)CCC)=N2)CCCCCC3CCNCC3)NC1=C2N
Molecular Formula
C20H34N6O2
Molecular Weight
390.52
References & Citations
[1]Massena CJ, et al. A tractable covalent linker strategy for the production of immunogenic antigen-TLR7/8L bioconjugates. Chem Commun (Camb) . 2021 May 11;57 (38) :4698-4701.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
TLR7; TLR8

Chemical Information

6-amino-2-[(2S)-pentan-2-yl]oxy-9-(5-piperidin-4-ylpentyl)-7H-purin-8-one
CAS Number1927013-87-3
PubChem CID134237919
IUPAC Name6-amino-2-[(2S)-pentan-2-yl]oxy-9-(5-piperidin-4-ylpentyl)-7H-purin-8-one
Molecular FormulaC20H34N6O2
Molecular Weight390.5
XLogP3.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity487
SMILES
CCC[C@H](C)OC1=NC(=C2C(=N1)N(C(=O)N2)CCCCCC3CCNCC3)N
InChI
InChI=1S/C20H34N6O2/c1-3-7-14(2)28-19-24-17(21)16-18(25-19)26(20(27)23-16)13-6-4-5-8-15-9-11-22-12-10-15/h14-15,22H,3-13H2,1-2H3,(H,23,27)(H2,21,24,25)/t14-/m0/s1
InChIKey
NLDBCTLCFNLOHN-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 6-amino-2-[(2S)-pentan-2-yl]oxy-9-(5-piperidin-4-ylpentyl)-7H-purin-8-one
CAS: 1927013-87-3
CID: 134237919
Formula: C20H34N6O2
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass390.27432435
Monoisotopic Mass390.27432435
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity487
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