우리딘
우리딘 · Uridine · 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)pyriMidine-2,4(1H,3H)-dione · UR · URACIL RIBOSIDE · URD · Uridin · beta-Uridine
식별자 및 물리적 특성
| CAS No. | 58-96-8 |
|---|---|
| 분자식 | C9H12N2O6 |
| 평균 분자량 | 244.2 g/mol |
| 단동위원소 질량 | 244.0695361 g/mol |
| SMILES | O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 |
| InChIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| PubChem CID | 6029 |
| ChEMBL | CHEMBL100259 |
| ChEBI | CHEBI:16704 |
| EC No. | 200-407-5 |
| DTXSID | DTXSID40891555 |
| 현지명 | 우리딘 |
화학 및 물리적 성질
| XLogP | -2 |
|---|---|
| 극성 표면적 | 119 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 370 |
| 물질 분류 | Biological Agents -> Nucleic Acids and Derivatives |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| LogP(분배 계수) | -1.98 |
| 용해도 | 34.9 [ug/mL] (The mean of the results at pH 7.4)H2O: 50 mg/mL |
| 녹는점 | 163 °C163-167 °C(lit.) |
| Optical Rotation | (c = 2, H2O) [a]20 D = 9.4 ± 2° |
| Physical Description | Solid[Merck Index] White powder[Alfa Aesar MSDS] |
| Collision Cross Section | 160.1 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]152 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine]150.7 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]166 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]152 Ų [M-H]- |
| 끓는 점 | 387.12°C (rough estimate) |
| 밀도 | 1.4221 (rough estimate) |
| 굴절률 | 9 ° (C=2, H2O) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 9.39±0.10(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| pH | 9.05 |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | 물, 디메틸설폭사이드 및 메탄올에 용해됩니다. |
| Merck | 14,9877 |
| BRN | 754904 |
| 화장품 원료 기능 | 피부 보호피부 컨디셔닝 |
| InChI | 1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| SMILES | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
| LogP(분배 계수) | -1.581 (est) |
| NIST | Uridine(58-96-8) |
| EPA | Uridine (58-96-8) |
화학적 성질
White powder; odorless; slightly acrid and faintly sweet taste. Soluble in water; slightly soluble in dilute alcohol; insoluble in strong alcohol.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.WarningH315 (14.3%): 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 14 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: UridineStatus: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31621Uridine: 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 |
| 유해성 요약 | Causes somnolence, other liver changes, effects on transaminases, and inflammation in acute intraperitoneal studies of mice and rats[RTECS] May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (14.3%) |
| Toxicity Data | Mouse(ip): LD50 4335 mg/kg |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | YR1450000 |
| 관세 코드 | 29335990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36-26 |
| 기존화학 물질 | KE-30340 |
| F 고인화성물질 | 10 |
| 위험 참고 사항 | Keep Cold |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Uridine is a nucleoside, contains a uracil attached to a ribose ring via a β-N1-glycosidic bond
일반 설명
Uridine is a pyrimidine nucleoside which is crucial for the synthesis of RNA and membranes. It helps in normal cell function and growth by forming pyrimidine nucleotide -lipid conjugates. Uridine has been studied as a rescue agent to reduce the toxicities associated with 5-fluorouracil (5-FU), thereby allowing the administration of higher doses of 5-FU in chemotherapy regimens. (NCI04)