Basic information
- CAS
67219-55-0- 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- Molecular formula
- C37H35N3O7
- Average molar mass
- 633.7 g/mol
- Monoisotopic mass
- 633.24750046
Names & identifiers
- Preferred 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
- English name
- 5'-O-Dimethoxytrityl-N-benzoyl-desoxycytidine
- Molecular formula
- C37H35N3O7
- Molecular weight
- 633.69
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- Melting point
- 119 °C · 119 °C
- Boiling point
- 668.71 °C · 668.71°C (rough estimate)
- Density
- 1.2234 · 1.2234 (rough estimate)
- refractive index
- 58 ° · 58 ° (C=1, MeOH)
- storage temp.
- 2 · 2-8°C
- solubility
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
- pka
- 8.67 · 8.67±0.20(Predicted)
- form
- powder to crystaline
- color
- White to Almost white
- Water Solubility
- 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 DataBase Reference
- 67219 · 67219-55-0(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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%)
Regulatory information
Regulatory Information
Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - Canada PBiTs；Report - if used as a fragrance or flavor ingredient
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-: ACTIVE
Applications
Uses5''-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.
UsesN4-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine has been used as research tool for anti-viral and anti-cancer studies.
General DescriptionThe 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.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
9 records
Compound notes
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