N4-벤조일-5'-O-(4,4'-디메톡시트리틸)-2'데옥시시티딘

N-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine

HCID 2724490CAS 67219-55-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey: MYSNCIZBPUPZMQ-VOTWKOMSSA-N
분자식: C37H35N3O7
평균 분자량: 633.7 g/mol
단동위원소 질량: 633.24750046

이름 및 식별자

우선 이름: N-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine
IUPAC: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
현지명: N4-벤조일-5'-O-(4,4'-디메톡시트리틸)-2'데옥시시티딘
영어명: 5'-O-Dimethoxytrityl-N-benzoyl-desoxycytidine
분자식: C37H35N3O7
분자량: 633.69

이름 및 동의어

67219-55-0Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidineDTXSID90889402Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-RefChem:1091546DTXCID601028663266-605-9N4-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine5'-O-Dimethoxytrityl-N-benzoyl-desoxycytidineMFCD00010114SCHEMBL5358852

이름 더 보기

N4-벤조일-5'-O-(4,4'-디메톡시트리틸)-2'데옥시시티딘N4-벤조일-5'-O-(4,4'-디메톡시트리틸)-2'데옥시시티딘(N4-BENZOYL-5'-O-(4,4'-DI...DMT-DC-BZDMT- Bz- dCDMT-N-BZ-DCN4-Bz-DMT-dC5'-DMT-Bz-dC5'-O-DMT-N4-Bz-dCBZ-DMT-DEOXYCYTIDINEN4-Bz-5'-O-DMT-2'-dC5'-O-DMT-N4-BZ-2'-DEOXYCYTIDINE

AKOS015839059HY-W010706N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamideAC-32197N-(1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide5'-O-(4,4'-Dimethoxytrityl)-N4-benzoyl-2'-deoxycytidineBz-DMT-dCN4 -Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine

데이터베이스 식별자

CAS: 67219-55-0
PubChem CID: 2724490
DTXSID: DTXSID90889402
EC Number: 266-605-9
Nikkaji: J310.212B

물성

구조 계산 물성

XLogP: 5.3
극성 표면적: 119 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 11
무거운 원자 수: 47
형식 전하: 0
복잡도: 1,080

물리화학적 성질

녹는점: 119 °C · 119 °C
끓는 점: 668.71 °C · 668.71°C (rough estimate)
밀도: 1.2234 · 1.2234 (rough estimate)
굴절률: 58 ° · 58 ° (C=1, MeOH)
저장 조건: 2 · 2-8°C
용해도: 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
산도 계수 (pKa): 8.67 · 8.67±0.20(Predicted)
물리적 상태: powder to crystaline
색상: 흰색에서 거의 흰색
수용성: 100 μg/L · 100μg/L at 20℃
BRN: 601627 · 601627
InChIKey: MYSNCIZBPUPZMQ-VOTWKOMSSA-N
SMILES: C(C1C=CC=CC=1)(C1C=CC(=CC=1)OC)(C1C=CC(=CC=1)OC)OC[C@@H]1[C@H](C[C@H](N2C=CC(=NC2=O)NC(C2C=CC=CC=2)=O)O1)O
LogP: 5.3 at · 5.3 at 20℃
EPA: -5 · Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy- (67219-55-0)

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (92.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - Canada PBiTs；Report - if used as a fragrance or flavor ingredient

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 14-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24707

Hazard Classes and CategoriesSkin Irrit. 2 (92.7%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (92.7%)

규제 정보

Regulatory Information · 3건

Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - Canada PBiTs；Report - if used as a fragrance or flavor ingredient

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 14-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24707

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 3077 9 / PGIII
HS 번호: 29349990
risk_code: 40-36/37/38-20/21/22-46-45
hazard_code: Xn,Xi,T
safety_code: 36/37-36-26-22-45-53
F 고인화성물질: 1-3-10
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationCytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-: ACTIVE

응용 분야 · 2건

용도5''-O-(4,4''-Dimethoxytrityl)-N4-benzoyl-2''-deoxycytidine (CAS# 67219-55-0) is a cytidine nucleoside derivative, and has been used as a reactant with synthetic modified DNA and RNA, such as in the site-selective RNA activation by acridine-modified oligodeoxynucleotides in metal-ion catalyzed hydrolysis.

일반 설명The 3′-O-(2-cyanoethyl)-N,N-diisopropylphosphoramidite derivatives of N4-benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine (DMT-dCBz) participates in Diels-Alder reaction between diene-modified oligonucleotides and maleimide-derivatized peptides.