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DOTA-​NHS-​ester , CAS No.170908-81-3

    Grade & Purity:
  • ≥95%
In stock
Item Number
D647052
Grouped product items
SKU Size
Availability
Price Qty
D647052-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$39.90
D647052-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$116.90

Basic Description

Synonyms 2,2',2''-(10-(2-((2,5-Dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
Specifications & Purity ≥95%
Biochemical and Physiological Mechanisms DOTA-NHS-ester is a linker for affibody molecules and is applied in small animals PET, SPECT, and CT. DOTA-NHS-ester can be used to label radiotherapeutic agents or imaging probes for the detection of tumors.
Storage Temp Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

DOTA-NHS-ester is a linker for affibody molecules and is applied in small animals PET, SPECT, and CT. DOTA-NHS-ester can be used to label radiotherapeutic agents or imaging probes for the detection of tumors.

In Vitro

DOTA-NHS-ester can be used to modify human serum albumin (HSA) to produce DOTA-HSA. And DOTA-HSA is furtherly modified by Sulfo-SMCC to obtain DOTA-HSA-SMCC. DOTA-HSA-SMCC is conjugated to ZHER2:342 and the final product is DOTA-HSA-Z HER2 :342. In a cell uptake assay, DOTA-HSA-Z HER2 :342 is labeled by 64 Cu, 64 Cu-DOTA-HSA-Z HER2 :342 (0.5-2 hours) slowly accumulates in the SKOV3 cells and reaches 0.71% of the applied activity at 0.5 h and the uptake increased to 1.58% at 2 h. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In a microPET images of a mouse bearing SKOV3 tumor, 64 Cu-DOTA-HSA-Z HER2 :342 is injected to the mouse tail. microPET images of a mouse bearing SKOV3 tumor at 1, 4, 24 and 48 h after tail vein injection. The SKOV3 tumor is visible with a low tumor-to-background contrast at 1 h post-injection (p.i.), but with a very good tumor-to-background contrast at 4 and 24 h p.i. Quantification analysis reveals that the SKOV3 tumor uptake values increases with time and are found to be 5.63%, 9.98%, 14.34% and 14.12% ID/g at 1, 4, 24, and 48 h, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Tetracarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Tetracarboxylic acids and derivatives
Alternative Parents Alpha amino acids  Pyrrolidine-2-ones  Dicarboximides  Trialkylamines  Lactams  Amino acids  Carboxylic acids  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aliphatic heteromonocyclic compounds
Substituents Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Pyrrolidine - Amino acid or derivatives - Amino acid - Lactam - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
External Descriptors Not available

Names and Identifiers

IUPAC Name 2-[4,10-bis(carboxymethyl)-7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
INCHI InChI=1S/C20H31N5O10/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/h1-14H2,(H,28,29)(H,30,31)(H,32,33)
InChIKey XSVWFLQICKPQAA-UHFFFAOYSA-N
Smiles C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O
Isomeric SMILES C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O
PubChem CID 11488945
Molecular Weight 501.49

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
F2523388 Certificate of Analysis Jun 18, 2025 D647052
F2523387 Certificate of Analysis Jun 18, 2025 D647052
F2523389 Certificate of Analysis Jun 18, 2025 D647052
F2523390 Certificate of Analysis Jun 18, 2025 D647052

Chemical and Physical Properties

Solubility DMSO : 50 mg/mL (99.70 mM; Need ultrasonic)
Sensitivity Moisture sensitive
Molecular Weight 501.500 g/mol
XLogP3 -8.900
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 10
Exact Mass 501.207 Da
Monoisotopic Mass 501.207 Da
Topological Polar Surface Area 189.000 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 774.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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