DOTA-NHS salt | CAS#1823122-52-6

MedKoo Cat#: 556374 | Name: DOTA-NHS TFA-HPF6

Description:

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

DOTA-NHS ester is a bifunctional linker containing chelating DOTA and N-hydroxysuccinimide (NHS) ester groups for conjugation with amine-containing biomolecules. DOTA (dodecane tetraacetic acid, also known as tetraxetan) is a complexing agent, especially for lanthanide ions. DOTA-NHS ester can be used to label radiotherapeutic agents or imaging probes and detect labeled tumors with PET, SPECT, and CT methods.

Chemical Structure

DOTA-NHS TFA-HPF6

CAS#1823122-52-6 (TFA-HPF6)

Theoretical Analysis

MedKoo Cat#: 556374

Name: DOTA-NHS TFA-HPF6

CAS#: 1823122-52-6 (TFA-HPF6)

Chemical Formula: C22H33F9N5O12P

Exact Mass: 0.0000

Molecular Weight: 761.49

Elemental Analysis: C, 34.70; H, 4.37; F, 22.45; N, 9.20; O, 25.21; P, 4.07

Price and Availability

Size	Price	Availability
100mg	USD 350.00	2 Weeks
500mg	USD 950.00	2 Weeks
1g	USD 1,650.00	2 Weeks
2g	USD 2,950.00	2 Weeks

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Related CAS #

1823122-52-6 (TFA-HPF6) 170908-81-3 (free base)

Synonym

DOTA-NHS ester; DOTA-NHS; DOTA-NHS salt;

IUPAC/Chemical Name

Phosphate(1-), hexafluoro-, hydrogen, compd. with 1-(2,5-dioxo-1-pyrrolidinyl) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate 2,2,2-trifluoroacetate (1:1:1:1)

InChi Key

NGLVUOKEPPQYJQ-UHFFFAOYSA-O

InChi Code

InChI=1S/C20H31N5O10.C2HF3O2.F6P/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33;3-2(4,5)1(6)7;1-7(2,3,4,5)6/h1-14H2,(H,28,29)(H,30,31)(H,32,33);(H,6,7);/q;;-1/p+1

SMILES Code

[H+].O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F.[F-][P+5]([F-])([F-])([F-])([F-])[F-]

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 761.49 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

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