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MedKoo Cat#: 127129 | Name: Tri-GalNAc(OAc)3 (trifluoroacetate salt)
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Tri-GalNAc(OAc)3 is an intermediate in the synthesis of lysosome-targeting chimeras (LYTACs) with anticancer activity.

Chemical Structure

Tri-GalNAc(OAc)3 (trifluoroacetate salt)
Tri-GalNAc(OAc)3 (trifluoroacetate salt)
CAS#1159408-65-7

Theoretical Analysis

MedKoo Cat#: 127129

Name: Tri-GalNAc(OAc)3 (trifluoroacetate salt)

CAS#: 1159408-65-7

Chemical Formula: C81H129F3N10O38

Exact Mass: 1906.8421

Molecular Weight: 1907.95

Elemental Analysis: C, 50.99; H, 6.82; F, 2.99; N, 7.34; O, 31.86

Price and Availability

Size Price Availability Quantity
5mg USD 550.00 2 Weeks
10mg USD 850.00 2 Weeks
50mg USD 1,550.00 2 Weeks
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Related CAS #
No Data
Synonym
Tri-GalNAc(OAc)3 (trifluoroacetate salt); Tri-GalNAc(OAc)3; Tri GalNAc(OAc)3
IUPAC/Chemical Name
6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-4,8-dioxa-12,16-diazaheneicosanamide, trifluoroacetate salt
InChi Key
ZQQFLUVDYMPTBZ-QBHSIBJISA-N
InChi Code
InChI=1S/C79H128N10O36.C2HF3O2/c1-46(90)87-67-73(120-55(10)99)70(117-52(7)96)58(40-114-49(4)93)123-76(67)111-34-16-13-22-61(102)81-28-19-31-84-64(105)25-37-108-43-79(80,44-109-38-26-65(106)85-32-20-29-82-62(103)23-14-17-35-112-77-68(88-47(2)91)74(121-56(11)100)71(118-53(8)97)59(124-77)41-115-50(5)94)45-110-39-27-66(107)86-33-21-30-83-63(104)24-15-18-36-113-78-69(89-48(3)92)75(122-57(12)101)72(119-54(9)98)60(125-78)42-116-51(6)95;3-2(4,5)1(6)7/h58-60,67-78H,13-45,80H2,1-12H3,(H,81,102)(H,82,103)(H,83,104)(H,84,105)(H,85,106)(H,86,107)(H,87,90)(H,88,91)(H,89,92);(H,6,7)/t58-,59-,60-,67-,68-,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-;/m1./s1
SMILES Code
OC(C(F)(F)F)=O.O=C(O[C@@H]1[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H](OCCCCC(NCCCNC(CCOCC(COCCC(NCCCNC(CCCCO[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2NC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)=O)=O)(COCCC(NCCCNC(CCCCO[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)=O)=O)N)=O)=O)O[C@@H]1COC(C)=O)C
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,907.95 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL