Guanosine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'-(2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite)
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기본 정보
- CAS
144089-97-4- 표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
KJFUMXZZVYMQEU-AOCJBPQJSA-N- 분자식
- C44H53FN7O8P
- 평균 분자량
- 857.9 g/mol
- 단동위원소 질량
- 857.36772683
이름 및 식별자
- 우선 이름
- Guanosine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'-(2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite)
- IUPAC
- N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
- 영어명
- DMT-2'-Fluoro-dG(Ib) Phosphoramidite
- 분자식
- C44H53FN7O8P
- 분자량
- 857.91
이름 및 동의어
144089-97-4Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]Guanosine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-2'-fluoro-N-(2-methyl-1-oxopropyl)-, 3'-(2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite)RefChem:347054DMT-2'FLUORO-DG(IB) AMIDITEDMT-2'-Fluoro-dG(Ib) PhosphoramiditeMFCD12912415DMT-2'Fluoro-dG(ib) PhosphoramiditeDMT-2'-F-dG(iBu)-CE PhosphoramiditeN-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-3-fluoro-tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide(2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-fluoro-5-(2-isobutyramido-6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-deoxy-2'-fluoro-N-isobutyrylguanosine
물성
구조 계산 물성보충 중
- XLogP
- 6.1
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,480
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (116.56 mM)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.16 · 9.16±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- non-animal source (no BSE/TSE risk)
- InChIKey
- CFFUQMXILRDKMM-QPYLYBSMNA-N
- SMILES
- C(NC1=NC(=O)C2=C(N1)N([C@H]1[C@H](F)[C@H](OP(OCC)N(C(C)C)C(C#N)(C)C)[C@@H](COC(C3=CC=C(OC)C=C3)(C3=CC=C(OC)C=C3)C3=CC=CC=C3)O1)C=N2)(=O)C(C)C |&1:10,11,13,28,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요DMT-2'-Fluoro-dG(Ib) Phosphoramidite is a 2′Fluoro phosphoramidite that is used to synthesize oligonucleotides that are more thermally stable and provide increased nuclease resistance.
용도DMT-2''Fluoro-DG(IB) amidite (CAS# 144089-97-4) is a nucleoside used in the preparation of cyclic dinucleotide compounds, and in the preparation of 4''-C-methoxy-2''-deoxy-2''-fluoro modified ribonucleotides, which improve metabolic stability and elicit efficient RNAi-mediated gene silencing.
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