DOTA-​NHS-​ester - ≥95% , CAS No.170908-81-3

CAS: 170908-81-3 Cat. No.: D647052 분자식: C20H31N5O10 분자량: 501.49 PubChem CID: 11488945
주문 가능
GRADE & PURITY ≥95%
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
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
25mg
D647052-25mg
2 재고 있음
—
US$79.90
100mg
D647052-100mg
1 재고 있음
—
US$199.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

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

Specifications

동의어
2,2',2''-(10-(2-((2,5-Dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
사양 및 순도
≥95%
생화학 및 생리적 메커니즘
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.
보관 조건
Store at -20°C,Desiccated
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥95%
이름과 식별자
Pubchem Sid
정식 스마일
C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O
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
InChIKey
XSVWFLQICKPQAA-UHFFFAOYSA-N
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)
이성체 SMILES
C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O
PubChem CID
11488945
분자량
501.49

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
분류Carboxylic acids and derivatives
SubclassTetracarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentTetracarboxylic 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 FrameworkAliphatic 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
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 NumberCertificate Type날짜항목
F2523387Certificate of AnalysisJun 18, 2025 D647052
F2523388Certificate of AnalysisJun 18, 2025 D647052
F2523389Certificate of AnalysisJun 18, 2025 D647052
F2523390Certificate of AnalysisJun 18, 2025 D647052
화학 및 물리적 특성
용해성DMSO : 50 mg/mL (99.70 mM; Need ultrasonic)
감도Moisture sensitive
분자량501.500 g/mol
XLogP3-8.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass501.207 Da
Monoisotopic Mass501.207 Da
Topological Polar Surface Area189.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity774.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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