N3-C5-NHS ester - ≥98% , CAS No.866363-70-4

CAS: 866363-70-4 Cat. No.: N651731 分子式: C₁₀H₁₄N₄O₄ 分子量: 254.25 PubChem CID: 11594035

GRADE & PURITY ≥98%

Synonyms

1-[(6-Azidohexanoyl)oxy]pyrrolidine-2,5-dione | FVWGCTQOFSJEDB-UHFFFAOYSA-N | PD125930 | 6-azido-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester | DTXSID10469149 | Hexanoic acid, 6-azido-, 2,5-dioxo-1-pyrrolidinyl ester | BP-25454 | A1-06739 | HY-126523 | 2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

N3-C5-NHS ester is a noncleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) .

Form:Liquid

IC50& Target:Non-cleavable

Specifications

同義語

1-[(6-Azidohexanoyl)oxy]pyrrolidine-2,5-dione | FVWGCTQOFSJEDB-UHFFFAOYSA-N | PD125930 | 6-azido-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester | DTXSID10469149 | Hexanoic acid, 6-azido-, 2,5-dioxo-1-pyrrolidinyl ester | BP-25454 | A1-06739 | HY-126523 | 2

仕様と純度

≥98%

生化学的・生理学的メカニズム

N3-C5-NHS ester is a noncleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) .

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

カノニカル・スマイル

C1CC(=O)N(C1=O)OC(=O)CCCCCN=[N+]=[N-]

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 6-azidohexanoate

InChIKey

FVWGCTQOFSJEDB-UHFFFAOYSA-N

INCHI

1S/C10H14N4O4/c11-13-12-7-3-1-2-4-10(17)18-14-8(15)5-6-9(14)16/h1-7H2

異性体SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCN=[N+]=[N-]

PubChem CID

11594035

分子量

254.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Lactams Azo imides Azo compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Azo compound - Azo imide - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (393.33 mM; Need ultrasonic)
• 分子量: 254.240 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 254.102 Da
• Monoisotopic Mass: 254.102 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 373.000
• 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