Products for Research Use Only
RegisterLogin

Tri-GalNAc-DBCO

CAT: 0804-HY-148476-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-148476-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Tri-GalNAc-DBCO is a synthetic ligand composed of three GalNAc units linked to DBCO. Tri-GalNAc-DBCO can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with molecules containing an azide group. Tri-GalNAc-DBCO specifically binds to the asialoglycoprotein receptor (ASGPR) . Tri-GalNAc-DBCO directs the conjugated molecule to the lysosome for degradation via receptor-mediated endocytosis. Tri-GalNAc-DBCO can be used in the study of liver-related diseases[1][2][3].
CAS Number
2999748-27-3
UNSPSC
12352005
Target
Biochemical Assay Reagents; LYTACs
Type
Reference compound
Related Pathways
Others; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/tri-galnac-dbco.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
O=C(NCCCNC(CCCCO[C@H](O[C@@H]1CO)[C@@H]([C@H]([C@H]1O)O)NC(C)=O)=O)CCOCC(COCCC(NCCCNC(CCCCO[C@H](O[C@@H]2CO)[C@@H]([C@H]([C@H]2O)O)NC(C)=O)=O)=O)(NC(CCCCC(N3CC4=CC=CC=C4C#CC5=CC=CC=C53)=O)=O)COCCC(NCCCNC(CCCCO[C@H](O[C@@H]6CO)[C@@H]([C@H]([C@H]6O)O)NC(C)=O)=O)=O
Molecular Formula
C82H127N11O29
Molecular Weight
1730.94
References & Citations
[1]Green Ahn, et al. LYTACs that engage the asialoglycoprotein receptor for targeted protein degradation. Nat Chem Biol. 2021 Sep;17 (9) :937-946.|[2]Maity P , et al. Targeting the Epidermal Growth Factor Receptor with Molecular Degraders: State-of-the-Art and Future Opportunities. J Med Chem. 2023 Mar 9;66 (5) :3135-3172. |[3]Donahue TC, et al. Synthetic Site-Specific Antibody-Ligand Conjugates Promote Asialoglycoprotein Receptor-Mediated Degradation of Extracellular Human PCSK9. ACS Chem Biol. 2023 Jul 21;18 (7) :1611-1623.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

tri-GalNAc-DBCO
CAS Number2999748-27-3
PubChem CID177846224
IUPAC Name6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[1,3-bis[3-[3-[5-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-6-oxohexanamide
Molecular FormulaC82H127N11O29
Molecular Weight1730.9
XLogP-5.9
Topological Polar Surface Area576
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count29
Rotatable Bond Count57
Heavy Atom Count122
Formal Charge0
Complexity3020
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCOC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)NC(=O)CCCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)CO)O)O
InChI
InChI=1S/C82H127N11O29/c1-52(97)89-70-76(111)73(108)59(46-94)120-79(70)117-39-13-10-23-62(100)83-33-16-36-86-65(103)30-42-114-49-82(92-68(106)26-8-9-27-69(107)93-45-57-21-5-4-19-55(57)28-29-56-20-6-7-22-58(56)93,50-115-43-31-66(104)87-37-17-34-84-63(101)24-11-14-40-118-80-71(90-53(2)98)77(112)74(109)60(47-95)121-80)51-116-44-32-67(105)88-38-18-35-85-64(102)25-12-15-41-119-81-72(91-54(3)99)78(113)75(110)61(48-96)122-81/h4-7,19-22,59-61,70-81,94-96,108-113H,8-18,23-27,30-51H2,1-3H3,(H,83,100)(H,84,101)(H,85,102)(H,86,103)(H,87,104)(H,88,105)(H,89,97)(H,90,98)(H,91,99)(H,92,106)/t59-,60-,61-,70-,71-,72-,73+,74+,75+,76-,77-,78-,79?,80?,81?,82?/m1/s1
InChIKey
FXSXUNYSKIAZMR-NBCAYEOHSA-N
Chemical Structure
2D Structure
2D structure of tri-GalNAc-DBCO
CAS: 2999748-27-3
CID: 177846224
Formula: C82H127N11O29
MW: 1730.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1730.9
XLogP3-5.9
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count29
Rotatable Bond Count57
Exact Mass1729.88011706
Monoisotopic Mass1729.88011706
Topological Polar Surface Area576 Ų
Heavy Atom Count122
Formal Charge0
Complexity3020
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-160291-01Trivalent GalNAc-DBCO
HY-139482-01Tri-GalNAc-COOH
HY-147102-01Tri-GalNAc biotin
HY-145368Tri-GalNAc-NHS ester
HY-148118-01Tri-GalNAc (OAc) 3
HY-145013Tri-GalNAc-COOH (acetylation)
HY-173261Tri-GalNAc (OAc) 3-Cbz
HY-145368B-01Tri-GalNAc (OAc) 3-Perfluorophenyl
HY-148118A-01Tri-GalNAc (OAc) 3 (TFA)
HY-171987Trans-4-Hydroxyprolinol-C10-tri-GalNAc

Alternative Products

CatalogName
MBS5819619Tri-GalNAc-DBCO
MT184245-01Tri-b-GalNAc-gly-C6-DBCO
MT184252-01Tri-b-GalNAc-b-alanine-PEG3-DBCO
MT184250-01Tri-b-GalNAc-b-alanine-PEG4-DBCO
GTR19263060-01Trivalent GalNAc-DBCO
7635/50Utri-GalNAc biotin
BUP12203-01Tri-GalNAc-COOH
7401/1tri-GalNAc COOH
OR1073902-01Tri-GalNAc-hexamine
MT184237Tri-β-GalNAc-6-aminohexanoate

Popular Products