![Fmoc-Thr[GalNAc(Ac)3-α-D]-OH](/upload/0201/6375152203426456001594370506.jpg)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| Other Sizes |
|
| ln Vitro |
This building block is completely compatible with normal methods in Fmoc solid-phase peptide synthesis because of its O-glycosidic bond and O-acetyl protection, which are stable to both piperidine and TFA. Tn is a tumor-associated carbohydrate antigen that is not normally expressed in blood cells or peripheral organs. Most human cancer types express this antigen, which is caused by obstruction of the regular O-glycosylation route that produces glycans from the common precursor GalNAcα1-O-Ser/Thr (Tn + antigen) extension. The polypeptide α-N-acetylgalactosaminotransferases (ppGalNAcTs) family produces this precursor on newly synthesized glycoproteins in the Golgi apparatus. It is subsequently passed through the single O-glycan Galβ1-3GalNAcα1-OSer/Thr (T antigen) and extends to the common core enzyme T-synthase (Core 1 β3-galactosyltransferase, or C1GalT). A special molecular chaperone known as Cosmc, which is encoded by Cosmc on the X chromosome, is necessary for the production of the active form of T synthase [1].
|
|---|---|
| References |
[1]. Ju T, et al. The Cosmc connection to the Tn antigen in cancer. Cancer Biomark. 2014 Jan 1;14(1):63-81.
|
| Molecular Formula |
C₃₃H₃₈N₂O₁₃
|
|---|---|
| Molecular Weight |
670.66
|
| Exact Mass |
670.237
|
| Elemental Analysis |
C, 59.10; H, 5.71; N, 4.18; O, 31.01
|
| CAS # |
116783-35-8
|
| PubChem CID |
11050650
|
| Appearance |
Solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
857.1±65.0 °C at 760 mmHg
|
| Melting Point |
178-183 °C
|
| Flash Point |
472.1±34.3 °C
|
| Vapour Pressure |
0.0±0.3 mmHg at 25°C
|
| Index of Refraction |
1.592
|
| LogP |
4.58
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
13
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
48
|
| Complexity |
1170
|
| Defined Atom Stereocenter Count |
7
|
| SMILES |
C[C@@H](OC1[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O1)COC(C)=O)[C@H](NC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O)C(O)=O
|
| InChi Key |
OXLCJWGAUPPZQJ-ZNHCDWFHSA-N
|
| InChi Code |
InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26-,27+,28-,29+,30-,32+/m1/s1
|
| Chemical Name |
(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
|
| Synonyms |
Fmoc-Thr(Ac₃AcNH-α-Gal-OH; ZINC-77292789; ZINC77292789
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~149.11 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4911 mL | 7.4553 mL | 14.9107 mL | |
| 5 mM | 0.2982 mL | 1.4911 mL | 2.9821 mL | |
| 10 mM | 0.1491 mL | 0.7455 mL | 1.4911 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
