시틴딘
시틴딘 · 사이티딘 · 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
식별자 및 물리적 특성
| CAS No. | 65-46-3 |
|---|---|
| 분자식 | C9H13N3O5 |
| 평균 분자량 | 243.22 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 시틴딘 |
화학 및 물리적 성질
| XLogP | -2.1 |
|---|---|
| 극성 표면적 | 129 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 383 |
| 물질 분류 | Biological Agents -> Nucleic Acids and Derivatives |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| LogP(분배 계수) | -2.51 |
| 용해도 | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992)H2O: 50 mg/mL |
| 녹는점 | 419 to 421 °F (decomposes) (NTP, 1992)230.5 °C210-220 °C (dec.) (lit.) |
| 증기압 | 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 |
| 끓는 점 | 386.09°C (rough estimate) |
| 밀도 | 1.3686 (rough estimate) |
| 굴절률 | 34 ° (C=0.7, H2O) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 4.22, 12.5(at 25℃) |
| 색상 | 흰색에서 거의 흰색 |
| pH | 4.13 |
| 생물학적 소스 | synthetic |
| 용해도 | 녹는 |
| Merck | 14,2786 |
| BRN | 89173 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. 습기로부터 보호하십시오. |
| 화장품 원료 기능 | 피부 보호피부 컨디셔닝 |
| 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(분배 계수) | -1.808 (est) |
| NIST | Cytidine(65-46-3) |
| EPA | Cytidine (65-46-3) |
화학적 성질
Cytidine is a component of RNA. It is a white water-soluble solid. which is only slightly soluble in ethanol.There are a variety of cytidine analogs with potentially useful pharmacology.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Chemical: CytidineCytidine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 화재 위험 | Flash point data for this compound are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Exposure to this compound may cause irritation. |
| 유해성 요약 | Causes somnolence in intraperitoneal lethal-dose studies of mice[RTECS] May cause irritation[Acros Organics MSDS] |
| 반응성 그룹 | 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%) |
| 소화 | 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) |
| 응급 처치 | 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. |
용도
개요
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).
용도
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.
일반 설명
White crystalline powder.