HATU

    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).


Chemical Structure

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HATU
CAS# 148893-10-1

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
200.0g USD 450.0 2 Weeks
500.0g USD 850.0 2 Weeks
1.0kg USD 1450.0 2 Weeks
2.0kg USD 2450.0 2 Weeks
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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

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: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

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

Preparing Stock Solutions

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.

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

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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.

HATU

200.0g / USD 450.0