Maleimide-DOTA - ≥99% , CAS No.1006711-90-5

CAS: 1006711-90-5 Cat. No.: M649343 Molecular Weight: 526.54 PubChem CID: 66893931

GRADE & PURITY ≥99%

Synonyms

PD171104 | 2-[4,7-bis(carboxymethyl)-10-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | Maleimide-monoamide-DOTA | 1,4,7,10-tetraazacyclododecane-1,4,7-tris-acetic acid-10-maleimidoethylacetamide | 1,4,7,1

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Maleimide-DOTA is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) .

In Vitro

ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Non-cleavable

Specifications

Synonyms

PD171104 | 2-[4, 7-bis(carboxymethyl)-10-[2-[2-(2, 5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]-1, 4, 7, 10-tetrazacyclododec-1-yl]acetic acid | Maleimide-monoamide-DOTA | 1, 4, 7, 10-tetraazacyclododecane-1, 4, 7-tris-acetic acid-10-maleimidoethylacetamide | 1, 4, 7, 1

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Maleimide-DOTA is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) .

Storage

Protected from light, 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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CN(CCN(CCN(CCN1CC(=O)NCCN2C(=O)C=CC2=O)CC(=O)O)CC(=O)O)CC(=O)O
• IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• InChIKey: AUTDIWAXETZSGJ-UHFFFAOYSA-N
• INCHI: 1S/C22H34N6O9/c29-17(23-3-4-28-18(30)1-2-19(28)31)13-24-5-7-25(14-20(32)33)9-11-27(16-22(36)37)12-10-26(8-6-24)15-21(34)35/h1-2H,3-16H2,(H,23,29)(H,32,33)(H,34,35)(H,36,37)
• Isomeric SMILES: C1CN(CCN(CCN(CCN1CC(=O)NCCN2C(=O)C=CC2=O)CC(=O)O)CC(=O)O)CC(=O)O
• Alternate CAS: 1006711-90-5
• PubChem CID: 66893931
• Molecular Weight: 526.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Alpha amino acids Tricarboxylic acids and derivatives Maleimides N-substituted carboxylic acid imides Pyrrolines Dicarboximides Trialkylamines Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Alpha-amino acid - Tricarboxylic acid or derivatives - Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: H2O : 100 mg/mL (189.92 mM; Need ultrasonic) DMSO : 100 mg/mL (189.92 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 526.500 g/mol
• XLogP3: -9.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 526.239 Da
• Monoisotopic Mass: 526.239 Da
• Topological Polar Surface Area: 191.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 846.000
• 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