GalNac-L96 (triethylamine salt) | CAS#1159408-62-4 | GalNAc | ASGPR

MedKoo Cat#: 127284 | Name: GalNac-L96 (triethylamine salt)

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Description:

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

GalNAc-L96 is a triantennary N-acetylgalactosamine (GalNAc) asialoglycoprotein receptor (ASGPR) ligand.

Chemical Structure

GalNac-L96 (triethylamine salt)

CAS#1159408-62-4 (triethylamine salt)

Theoretical Analysis

MedKoo Cat#: 127284

Name: GalNac-L96 (triethylamine salt)

CAS#: 1159408-62-4 (triethylamine salt)

Chemical Formula: C127H194N12O45

Exact Mass: 2607.3261

Molecular Weight: 2608.99

Elemental Analysis: C, 58.47; H, 7.50; N, 6.44; O, 27.60

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Related CAS #

1159408-61-3 (free base) 1159408-62-4 (triethylamine salt)

Synonym

N-Acetylgalactosamine-L96; N-acetyl-D-Galactosamine-L96; GalNac-L96 (triethylamine salt)

IUPAC/Chemical Name

triethylamine 4-(((3R,5S)-1-(1-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-16,16-bis((3-((3-(5-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pentanamido)propyl)amino)-3-oxopropoxy)methyl)-5,11,18-trioxo-14-oxa-6,10,17-triazanonacosan-29-oyl)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)pyrrolidin-3-yl)oxy)-4-oxobutanoate

InChi Key

IJXFTQRCIYIYHZ-MCDRDKEWSA-N

InChi Code

InChI=1S/C121H179N11O45.C6H15N/c1-76(133)128-108-114(171-85(10)142)111(168-82(7)139)95(70-164-79(4)136)175-117(108)161-61-29-26-37-98(145)122-55-32-58-125-101(148)52-64-158-73-120(74-159-65-53-102(149)126-59-33-56-123-99(146)38-27-30-62-162-118-109(129-77(2)134)115(172-86(11)143)112(169-83(8)140)96(176-118)71-165-80(5)137,75-160-66-54-103(150)127-60-34-57-124-100(147)39-28-31-63-163-119-110(130-78(3)135)116(173-87(12)144)113(170-84(9)141)97(177-119)72-166-81(6)138)131-104(151)40-24-19-17-15-16-18-20-25-41-105(152)132-68-94(174-107(155)51-50-106(153)154)67-91(132)69-167-121(88-35-22-21-23-36-88,89-42-46-92(156-13)47-43-89)90-44-48-93(157-14)49-45-90;1-4-7(5-2)6-3/h21-23,35-36,42-49,91,94-97,108-119H,15-20,24-34,37-41,50-75H2,1-14H3,(H,122,145)(H,123,146)(H,124,147)(H,125,148)(H,126,149)(H,127,150)(H,128,133)(H,129,134)(H,130,135)(H,131,151)(H,153,154);4-6H2,1-3H3/t91-,94+,95+,96+,97+,108+,109+,110+,111-,112-,113-,114+,115+,116+,117+,118+,119+;/m0./s1

SMILES Code

COC1=CC=C(C=C1)C(C(C=C2)=CC=C2OC)(C3=CC=CC=C3)OC[C@H](C[C@H]4OC(CCC(O)=O)=O)N(C4)C(CCCCCCCCCCC(NC(COCCC(NCCCNC(CCCCO[C@H](O[C@@H]5COC(C)=O)[C@@H]([C@H]([C@H]5OC(C)=O)OC(C)=O)NC(C)=O)=O)=O)(COCCC(NCCCNC(CCCCO[C@H](O[C@@H]6COC(C)=O)[C@@H]([C@H]([C@H]6OC(C)=O)OC(C)=O)NC(C)=O)=O)=O)COCCC(NCCCNC(CCCCO[C@H](O[C@@H]7COC(C)=O)[C@@H]([C@H]([C@H]7OC(C)=O)OC(C)=O)NC(C)=O)=O)=O)=O)=O.CCN(CC)CC

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 2,608.99 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.