CAS 67219-55-0 N-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine (HCID 2724490)

名称と識別子

優先名称: 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
現地名: N4-ベンゾイル-5'-O-(4,4'-ジメトキシトリチル)-2'-デオキシシチジン
英語名: 5'-O-Dimethoxytrityl-N-benzoyl-desoxycytidine
分子式: C37H35N3O7
分子量: 633.69

名称と別名

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

名称をさらに表示

N4-ベンゾイル-5'-O-(4,4'-ジメトキシトリチル)-2'-デオキシシチジンN-ベンゾイル-5'-O-[ビス(4-メトキシフェニル)フェニルメチル]-2'-デオキシシチジンN4-ベンゾイル-5'-O-[ビス(4-メトキシフェニル)(フェニル)メチル]-2'-デオキシシチジンN-{1-[5-O-(4,4'-ジメトキシトリチル)-2-デオキシ-β-D-リボフラノシル]-2-オキソ-1,2-ジヒドロ-4-ピリミジニル}ベンズアミドN-[1-[5-O-[ビス(4-メトキシフェニル)フェニルメチル]-2-デオキシ-β-D-リボフラノシル]-2-オキソ-1,2-ジヒドロピリミジン-4-イル]ベンズアミド5'-O-(4,4'-ジメトキシトリチル)-N-ベンゾイル-2'-デオキシシチジンN-ベンゾイル-5'-O-(4,4'-ジメトキシトリチル)-2'-デオキシシチジンＮ（４）ベンゾイル５’Ｏ［ビス（４メトキシフェニル）（フェニル）メチル］２’デオキシシチジンN-{1-[5-O-(4,4′-ジメトキシトリチル)-2-デオキシ-β-D-リボフラノシル]-2-オキソ-1,2-ジヒドロ-4-ピリミジニル}ベンズアミド5′-O-(4,4′-ジメトキシトリチル)-N-ベンゾイル-2′-デオキシシチジンN4-ベンゾイル-5′-O-[ビス(4-メトキシフェニル)(フェニル)メチル]-2′-デオキシシチジンN-ベンゾイル-5′-O-[ビス(4-メトキシフェニル)フェニルメチル]-2′-デオキシシチジンN-{1-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-ヒドロキシオキソラン-2-イル]-2-オキソ-1,2-ジヒドロピリミジン-4-イル}ベンズアミドN-ベンゾイル-5′-O-(4,4′-ジメトキシトリチル)-2′-デオキシシチジン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

データベース識別子

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

物性

構造計算による物性

XLogP: 5.3
極性表面積: 119 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 11
重原子数: 47
形式電荷: 0
複雑度: 1,080

物理化学的性質

融点: 119 °C · 119 °C
沸点: 668.71 °C · 668.71°C (rough estimate)
比重(密度): 1.2234 · 1.2234 (rough estimate)
屈折率: 58 ° · 58 ° (C=1, MeOH)
貯蔵温度: 2 · 2-8°C
溶解性: 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
酸解離定数(Pka): 8.67 · 8.67±0.20(Predicted)
外見: powder to crystaline
色: White to Almost white
水溶解度: 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℃
CAS データベース: 67219 · 67219-55-0(CAS DataBase Reference)
EPAの化学物質情報: -5 · Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy- (67219-55-0)

化学的性質

化学的特性Off-white powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

法規制情報

Regulatory Information · 3 件

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

安全データ

F: 1-3-10
wgk: 1
tsca: TSCA listed
ridadr: UN 3077 9 / PGIII
hs_code: 29349990
risk_code: 40-36/37/38-20/21/22-46-45
化審法: (5)-6799
hazard_code: Xn,Xi,T
safety_code: 36/37-36-26-22-45-53
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
ストレージクラス: 13 - Non Combustible Solids

化学と産業

用途と製造

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

応用分野 · 2 件

使用5''-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.

一般的な説明The 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.