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ASGPR ligand-1

CAT: 0013-GTR19217828-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217828-01Size:5 mg
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Description
ASGPR Ligand-1 is a small molecule designed to selectively target the asialoglycoprotein receptor. It serves as a valuable research tool for studying liver-specific drug delivery and cellular uptake mechanisms in both in vitro and in vivo experimental models.
CAS Number
1426160-58-8
Field of Research
Pharmacology & Drug Discovery
Smiles
O (CCCCC (NCCCNC (CCOCC (COCCC (NCCCNC (CCCCO[C@H]1[C@H] (NC (C) =O) [C@@H] (O) [C@@H] (O) [C@@H] (CO) O1) =O) =O) (COCCC (NCCCNC (CCCCO[C@H]2[C@H] (NC (C) =O) [C@@H] (O) [C@@H] (O) [C@@H] (CO) O2) =O) =O) N) =O) =O) [C@H]3[C@H] (NC (C) =O) [C@@H] (O) [C@@H] (O) [C@@H] (CO) O3
Molecular Formula
C61H110N10O27
Molecular Weight
1415.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ASGPR ligand-1
CAS Number1426160-58-8
PubChem CID168442560
IUPAC Name5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[3-[3-[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-aminopropoxy]propanoylamino]propyl]pentanamide
Molecular FormulaC61H110N10O27
Molecular Weight1415.6
XLogP-9.4
Topological Polar Surface Area553
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count28
Rotatable Bond Count51
Heavy Atom Count98
Formal Charge0
Complexity2110
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)N)CO)O)O
InChI
InChI=1S/C61H110N10O27/c1-37(75)69-49-55(87)52(84)40(31-72)96-58(49)93-25-7-4-13-43(78)63-19-10-22-66-46(81)16-28-90-34-61(62,35-91-29-17-47(82)67-23-11-20-64-44(79)14-5-8-26-94-59-50(70-38(2)76)56(88)53(85)41(32-73)97-59)36-92-30-18-48(83)68-24-12-21-65-45(80)15-6-9-27-95-60-51(71-39(3)77)57(89)54(86)42(33-74)98-60/h40-42,49-60,72-74,84-89H,4-36,62H2,1-3H3,(H,63,78)(H,64,79)(H,65,80)(H,66,81)(H,67,82)(H,68,83)(H,69,75)(H,70,76)(H,71,77)/t40-,41-,42-,49-,50-,51-,52+,53+,54+,55-,56-,57-,58-,59-,60-/m1/s1
InChIKey
QKKUAGHSALQHNF-ZVMWQLMESA-N
Chemical Structure
2D Structure
2D structure of ASGPR ligand-1
CAS: 1426160-58-8
CID: 168442560
Formula: C61H110N10O27
MW: 1415.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1415.6
XLogP3-9.4
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count28
Rotatable Bond Count51
Exact Mass1414.75418827
Monoisotopic Mass1414.75418827
Topological Polar Surface Area553 Ų
Heavy Atom Count98
Formal Charge0
Complexity2110
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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