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Cytidin
4-aMino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)pyriMidin-2(1H)-one · Cyd · Citydine · Cytosine β-D-riboside · Citidine · Cytidine,Cytosine β-D-riboside, Cytosine-1-β-D-ribofuranoside · Cytidin · Cytidine
Identifikatoren & physikalische Daten
| CAS No. | 65-46-3 |
|---|---|
| Summenformel | C9H13N3O5 |
| Durchschnittliche Molmasse | 243,22 g/mol |
| Monoisotopische Masse | 243,08552052 g/mol |
| SMILES | Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 |
| InChIKey | UHDGCWIWMRVCDJ-XVFCMESISA-N |
| PubChem CID | 6175 |
| ChEMBL | CHEMBL95606 |
| ChEBI | CHEBI:17562 |
| EC No. | 200-610-9 |
| DTXSID | DTXSID60891552 |
| Lokaler Name | Cytidin |
Chemische & physikalische Eigenschaften
| XLogP | -2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 129 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 383 |
| Stoffklassen | Biological Agents -> Nucleic Acids and Derivatives |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| LogP (Verteilungskoeffizient) | -2.51 |
| Löslichkeit | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992)H2O: 50 mg/mLSOLUBLE |
| Schmelzpunkt | 419 to 421 °F (decomposes) (NTP, 1992)230.5 °C210-220 °C (dec.) (lit.) |
| Dampfdruck | Negligible (NTP, 1992) |
| Physical Description | Cytidine is a white crystalline powder. (NTP, 1992)Solid[Merck Index] White hygroscopic solid[CAMEO] White hygroscopic powder[Acros Organics MSDS] |
| Collision Cross Section | 159.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]154.47 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]148 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine]149.8 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]151.1 Ų [M+H]+ [CCS Type: TW |
| Siedepunkt | 386.09°C (rough estimate) |
| Dichte | 1.3686 (rough estimate) |
| Brechungsindex | 34 ° (C=0.7, H2O) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 4.22, 12.5(at 25℃) |
| Farbe | White to almost white |
| pH | 4.13 |
| Biologische Quelle | synthetic |
| Merck | 14,2786 |
| BRN | 89173 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Protect from moisture. |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN PROTECTINGSKIN CONDITIONING |
| InChI | 1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | UHDGCWIWMRVCDJ-XVFCMESISA-N |
| SMILES | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
| LogP (Verteilungskoeffizient) | -1.808 (est) |
| CAS Datenbank | 65-46-3(CAS DataBase Reference) |
| NIST chemische Informationen | Cytidine(65-46-3) |
| EPA chemische Informationen | Cytidine (65-46-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.WarningH315 (16.7%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: CytidineCytidine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Brandgefahren | Flash point data for this compound are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Exposure to this compound may cause irritation. |
| Gefahrenübersicht | Causes somnolence in intraperitoneal lethal-dose studies of mice[RTECS] May cause irritation[Acros Organics MSDS] |
| Reaktive Gruppe | Alcohols and Polyols |
| Reactivity Profile | CYTIDINE is incompatible with strong oxidizing agents. (NTP, 1992). Will react as a weak base. |
| Air and Water Reactions | This compound is hygroscopic. Water soluble. |
| Hazard Classes and Categories | Skin Irrit. 2 (16.7%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29349990 |
| RTECS-Nr. | UW7370000 |
| R-Sätze (R) | 68 |
| Toxizität | LD50 intraperitoneal in mouse: 2700mg/kg |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Cytidine is a pyrimidine nucleoside that is composed of the pyrimidine base cytosine attached to the sugar ribose. As a constituent of RNA, cytidine pairs with guanine, and it is a precursor of uridine. Cytidine can incur several modifications in mRNA, including methylation and acetylation, that function to regulate translation. Cytidine can also be formylated to 5-formylcytidine in mitochondrial methionine transfer RNA (tRNAMet).
Verwenden
Cytidine is a nucleoside molecule that is formed when cytosine is attached to a ribose ring, cytidine is a component of RNA. It was isolated from yeast nucleic acid. It can increases cell membrane phospholipids. Cytidine is used to synthesize enzyme inhibitors, antiviral agents, and anticancer agents. And also used as constituent of nucleic acids.