N-Benzoyl-5'-O-(p,p'-dimethoxytrityl)-2'-desoxycytidin

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

HCID 2724490CAS 67219-55-0

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Grundinformationen

Standard-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
Summenformel: C37H35N3O7
Durchschnittliche Molmasse: 633,7 g/mol
Monoisotopische Masse: 633,24750046

Namen und Bezeichner

Bevorzugter Name: 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
Lokaler Name: N-Benzoyl-5'-O-(p,p'-dimethoxytrityl)-2'-desoxycytidin
Englischer Name: 5'-O-Dimethoxytrityl-N-benzoyl-desoxycytidine
Summenformel: C37H35N3O7
Molmasse: 633.69

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,3
Polarare Oberfläche (TPSA): 119 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 11
Schwere Atome: 47
Formalladung: 0
Komplexität: 1.080

Physikochemische Eigenschaften

Schmelzpunkt: 119 °C · 119 °C
Siedepunkt: 668.71 °C · 668.71°C (rough estimate)
Dichte: 1.2234 · 1.2234 (rough estimate)
Brechungsindex: 58 ° · 58 ° (C=1, MeOH)
storage temp.: 2 · 2-8°C
Löslichkeit: 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
pka: 8.67 · 8.67±0.20(Predicted)
Aggregatzustand: powder to crystaline
Farbe: White to Almost white
Wasserlöslichkeit: 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 Datenbank: 67219 · 67219-55-0(CAS DataBase Reference)
EPA chemische Informationen: -5 · Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy- (67219-55-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

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

Sicherheitsdaten

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
hazard_code: Xn,Xi,T
safety_code: 36/37-36-26-22-45-53
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden5''-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.