Methyltetrazine-NHS ester - ≥95% , CAS No.1644644-96-1

CAS: 1644644-96-1 Cat. No.: M463376 분자식: C₁₅H₁₃N₅O₄ 분자량: 327.29

GRADE & PURITY ≥95%

Synonyms

1-[2-[4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetoxy]-2,5-pyrrolidinedione | 2,5-Dioxopyrrolidin-1-yl 2-[4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate | N-Succinimidyl 2-[4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate | BD00822488

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

개요

Description

Methyltetrazine-NHS ester has anN-hydroxysuccinimide (NHS) ester that can be reacted with primary amines and a methyltetrazine, which is reactive totrans-cyclooctenes. The NHS ester reacts with primary amines (e.g. side chain of lysine residues or aminosilane-coated surfaces) at neutral or slightly basic pH to form covalent bonds. The short spacer arm adds minimal mass to modified molecules (230.2 daltons). It is generally used in click chemistry applications in bioconjugate chemistry.

Specifications

동의어

1-[2-[4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetoxy]-2,5-pyrrolidinedione | 2,5-Dioxopyrrolidin-1-yl 2-[4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate | N-Succinimidyl 2-[4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate | BD00822488

사양 및 순도

≥95%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 528773470
• 정식 스마일: CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)ON3C(=O)CCC3=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate
• InChIKey: BIHJLZOOHNOUCG-UHFFFAOYSA-N
• INCHI: 1S/C15H13N5O4/c1-9-16-18-15(19-17-9)11-4-2-10(3-5-11)8-14(23)24-20-12(21)6-7-13(20)22/h2-5H,6-8H2,1H3
• 이성체 SMILES: CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)ON3C(=O)CCC3=O
• 분자량: 327.29
• Reaxy-Rn: 28080068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28080068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Tetrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Tetrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazines
• Alternative Parents: Pyrrolidine-2-ones Benzene and substituted derivatives Heteroaromatic compounds Dicarboximides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Tetrazine - Benzenoid - Dicarboximide - Pyrrolidine - Heteroaromatic compound - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.
• 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

화학 및 물리적 특성

• 감도: Light, Moisture and Heat sensitive
• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 327.290 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 327.097 Da
• Monoisotopic Mass: 327.097 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 482.000
• 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

참고 문헌

1. Siqi Li, Tiemei Zheng, Yusen Li, Xiaoli Wang, Yanjun Jiang, Pengyu Huang.  (2025)  Biocasting bioorthogonal gelatin with expanded primary hepatocytes to engineer therapeutic liver grafts for acute liver failure.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166655]