(+)-바이오틴-PEG₄-프로피온산 - ≥98% , CAS No.721431-18-1

CAS: 721431-18-1 Cat. No.: B122230 분자식: C₂₁H₃₇N₃SO₈ 분자량: 491.6 EC 번호: 884-833-2

GRADE & PURITY ≥98%

Synonyms

HY-126959 | 17-Oxo-21-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13-tetraoxa-16-azahenicosan-1-oic acid | MFCD08457831 | W-203624 | (+)-Biotin-PEG24-CH2CH2COOH | BP-20607 | 17-oxo-21-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imi

Storage

빛으로부터 보호, -20°C에서 보관, 아르곤 충전

Shipped In

아이스 박스 + 아이스 패드

Application

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

개요

dPEG4 비오틴산은 비오틴과 프로피온산 기능화 테트라에틸렌 글리콜 유도체로 구성됩니다. 아실화제인 N-하이드록시숙시니마이드(NHS)와 2,3,5,6-테트라플루오로페놀(TFP)을 비롯한 수많은 기능성 또는 반응성 그룹이 말단 산 모이티를 변형할 수 있습니다. 또한 dPEG4 비오틴산은 1-에틸-3-(3-디메틸아미노프로필)카르보디이미드(EDC)와 같은 적절한 카르보디이미드를 사용하여 1차 아민과 직접 반응합니다. 양친매성 dPEG 링커는 비오틴이 일반적으로 잘 녹지 않는 물과 수성 완충액에서 우수한 용해도를 제공합니다. dPEG4 비오틴산은 기존의 소수성이 강한 비오틴화 시약인 LC-biotin에 비해 용해도와 성능 특성이 훨씬 우수합니다. 또한, dPEG4 비오틴산과 LC-바이오틴은 링커 길이가 비슷하지만, 바이오분자에 비오틴이 높은 수준으로 결합된 경우에도 dPEG4 비오틴산은 결합된 바이오분자의 응집 및 침전을 유발하지 않습니다. 이와 대조적으로 LC-비오틴은 몇 개의 LC-비오틴 그룹을 생체 분자에 통합하여 생체 분자의 응집 및 침전을 유발합니다.

Specifications

동의어

HY-126959 | 17-Oxo-21-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13-tetraoxa-16-azahenicosan-1-oic acid | MFCD08457831 | W-203624 | (+)-Biotin-PEG24-CH2CH2COOH | BP-20607 | 17-oxo-21-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imi

사양 및 순도

≥98%

보관 조건

빛으로부터 보호, -20°C에서 보관, 아르곤 충전

배송

아이스 박스 + 아이스 패드

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528752696
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528752696
• 정식 스마일: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)O)NC(=O)N2
• IUPAC Name: 3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• InChIKey: GYOXFFWLRKVJJX-ZWOKBUDYSA-N
• INCHI: 1S/C21H37N3O8S/c25-18(4-2-1-3-17-20-16(15-33-17)23-21(28)24-20)22-6-8-30-10-12-32-14-13-31-11-9-29-7-5-19(26)27/h16-17,20H,1-15H2,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17-,20-/m0/s1
• 이성체 SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)O)NC(=O)N2
• 분자량: 491.6
• Reaxy-Rn: 9678492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9678492&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines Imidazolidinones N-acyl amines Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Dialkyl ethers Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Imidazolidine - Thiophene - Thiolane - Carboxamide group - Carbonic acid derivative - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Thioether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene 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

화학 및 물리적 특성

• 감도: Light Sensitive,Hygroscopic,Heat Sensitive
• 녹는점(°C): 127 °C
• 분자량: 491.600 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 20
• Exact Mass: 491.23 Da
• Monoisotopic Mass: 491.23 Da
• Topological Polar Surface Area: 170.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 598.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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. Xiaohua Xie, Xiaofeng Wu, Dongsheng Zhao, Ying Liu, Qiyue Du, Yitian Li, Yaping Xu, Yuhang Li, Yan Qiu, Yungang Yang.  (2022)  Fluvoxamine alleviates bleomycin-induced lung fibrosis via regulating the cGAS-STING pathway.  PHARMACOLOGICAL RESEARCH,      [PMID:36435270] [10.1016/j.phrs.2022.106577]