WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 610228
CAS#: 148893-10-1
Description: HATU (1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate) is a reagent used in peptide coupling chemistry to generate an active ester from a carboxylic acid. HATU is used along with Hünig's base (N,N-diisopropylethylamine, DIPEA) to form amide bonds. Generally DMF is used as solvent, although other polar organic solvents can also be used. (Source: https://en.wikipedia.org/wiki/HATU).
MedKoo Cat#: 610228
Name: HATU
CAS#: 148893-10-1
Chemical Formula: C10H15F6N6OP
Exact Mass:
Molecular Weight: 380.24
Elemental Analysis: C, 31.59; H, 3.98; F, 29.98; N, 22.10; O, 4.21; P, 8.15
HATU, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.
Synonym: 1-[Bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate, N-[(Dimethylamino)-1H-1,2,3-triazolo-[4,5-b]pyridin-1-ylmethylene]-N-methylmethanaminium hexafluorophosphate N-oxide
IUPAC/Chemical Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;hexafluorophosphate
InChi Key: JNWBBCNCSMBKNE-UHFFFAOYSA-N
InChi Code: InChI=1S/C10H15N6O.F6P/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
SMILES Code: C/[N+](C)=C(N(C)C)\ON1N=NC2=CC=CN=C21.F[P-](F)(F)(F)(F)F
The following data is based on the product molecular weight 380.24 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: Aaronson JG, Klein LJ, Momose AA, O'Brien AM, Shaw AW, Tucker TJ, Yuan Y, Tellers DM. Rapid HATU-mediated solution phase siRNA conjugation. Bioconjug Chem. 2011 Aug 17;22(8):1723-8. doi: 10.1021/bc2001227. Epub 2011 Jul 11. PubMed PMID: 21744777.
2: Hołyńska M, Kubiak M. Supramolecular motifs in the first structures of organic carboxylate salts of 1-(diaminomethylene)thiourea (HATU). Acta Crystallogr C. 2009 Aug;65(Pt 8):o410-3. doi: 10.1107/S0108270109026390. Epub 2009 Jul 15. PubMed PMID: 19652326.
3: Xiao Z, Yang MG, Li P, Carter PH. Synthesis of 3-substituted-4(3H)-quinazolinones via HATU-mediated coupling of 4-hydroxyquinazolines with amines. Org Lett. 2009 Mar 19;11(6):1421-4. doi: 10.1021/ol802946p. PubMed PMID: 19243133.
4: Yung A, Papworth-Smith J, Wilkinson SM. Occupational contact urticaria from the solid-phase peptide synthesis coupling agents HATU and HBTU. Contact Dermatitis. 2003 Aug;49(2):108-9. PubMed PMID: 14641366.