Hexa-N-Acetylchitohexaose | CAS#38854-46-5 | Chitin Subunit

MedKoo Cat#: 111524 | Name: Hexa-N-Acetylchitohexaose

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Description:

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

Hexa-N-Acetylchitohexaose is hexamer of N-acetylglucosamine, a subunit of chitin.

Chemical Structure

Hexa-N-Acetylchitohexaose

CAS#38854-46-5

Theoretical Analysis

MedKoo Cat#: 111524

Name: Hexa-N-Acetylchitohexaose

CAS#: 38854-46-5

Chemical Formula: C48H80N6O31

Exact Mass: 1236.4900

Molecular Weight: 1237.18

Elemental Analysis: C, 46.60; H, 6.52; N, 6.79; O, 40.09

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 450.00	2 Weeks

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Related CAS #

6734-92-5 (free) 38854-46-5 (acetyl)

Synonym

N-Acetylchitohexaose, Hexa N-Acetylchitohexaose, N-Acetylglucosamine hexamer, Nacos-6

IUPAC/Chemical Name

N-((2S,3R,4R,5S,6R)-2-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-5-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4R,5S,6R)-3-acetamido-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide

InChi Key

FUHDMRPNDKDRFE-LPUYKFNUSA-N

InChi Code

InChI=1S/C48H80N6O31/c1-14(62)49-20(7-55)32(69)39(21(68)8-56)81-45-28(51-16(3)64)35(72)41(23(10-58)77-45)83-47-30(53-18(5)66)37(74)43(25(12-60)79-47)85-48-31(54-19(6)67)38(75)42(26(13-61)80-48)84-46-29(52-17(4)65)36(73)40(24(11-59)78-46)82-44-27(50-15(2)63)34(71)33(70)22(9-57)76-44/h7,20-48,56-61,68-75H,8-13H2,1-6H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-/m0/s1

SMILES Code

CC(N[C@H]([C@H]([C@@H]([C@@H](CO)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(C)=O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2NC(C)=O)O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3NC(C)=O)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4NC(C)=O)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5NC(C)=O)O)O)CO)CO)CO)CO)CO)O)C=O)=O

Appearance

Solid powder

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 1,237.18 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.

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

1: Turupcu A, Bowen AM, Di Paolo A, Matagne A, Oostenbrink C, Redfield C, Smith LJ. An NMR and MD study of complexes of bacteriophage lambda lysozyme with tetra- and hexa-N-acetylchitohexaose. Proteins. 2020 Jan;88(1):82-93. doi: 10.1002/prot.25770. Epub 2019 Jul 26. PMID: 31294851; PMCID: PMC6916166. 2: Leung AK, Duewel HS, Honek JF, Berghuis AM. Crystal structure of the lytic transglycosylase from bacteriophage lambda in complex with hexa-N- acetylchitohexaose. Biochemistry. 2001 May 15;40(19):5665-73. doi: 10.1021/bi0028035. PMID: 11341831. 3: Tokoro A, Tatewaki N, Suzuki K, Mikami T, Suzuki S, Suzuki M. Growth- inhibitory effect of hexa-N-acetylchitohexaose and chitohexaose against Meth-A solid tumor. Chem Pharm Bull (Tokyo). 1988 Feb;36(2):784-90. doi: 10.1248/cpb.36.784. PMID: 3409386. 4: Suzuki K, Mikami T, Okawa Y, Tokoro A, Suzuki S, Suzuki M. Antitumor effect of hexa-N-acetylchitohexaose and chitohexaose. Carbohydr Res. 1986 Aug 15;151:403-8. doi: 10.1016/s0008-6215(00)90359-8. PMID: 3768901.