기본 정보
- 표준 SMILES
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1- InChIKey
DRTQHJPVMGBUCF-XVFCMESISA-N- 분자식
- C9H12N2O6
- 평균 분자량
- 244.2 g/mol
- 단동위원소 질량
- 244.0695361
개요
Uridine is a ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a betaN1-glycosidic bond. It has a role as a drug metabolite, a human metabolite and a fundamental metabolite. It is functionally related to a uracil.
이름 및 식별자
- 우선 이름
- Uridine
- IUPAC
- 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- 현지명
- 우리딘
- 영어명
- Uridine
- 분자식
- C9H12N2O6
- 분자량
- 244.2
이름 및 동의어
uridine58-96-8UridinUracil riboside1-beta-D-RibofuranosyluracilCHEBI:16704WHI7HQ7H85DTXSID40891555NSC-20256NSC202561-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
이름 더 보기
우리딘1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)pyriMidine-2,4(1H,3H)-dioneURURDbeta-UridineURACIL-1-BETA-D-RIBOFURANOSIDED-URIDINEβ-Uridine
1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dioneAllo UridineAllo-Uridine1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)pyrimidine-2,4-dione1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:6340DTXCID001030648200-407-5
데이터베이스 식별자
- CAS
58-96-8、69-75-0- PubChem CID
- 6029
- DTXSID
DTXSID40891555- ChEMBL
CHEMBL100259- ChEBI
CHEBI:16704- UNII
- WHI7HQ7H85
- EC Number
- 200-407-5
- Nikkaji
- J4.593D
물성
구조 계산 물성
- XLogP
- -2
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 370
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
LogP-1.98
Solubility34.9 [ug/mL] (The mean of the results at pH 7.4)
Melting Point163 °C
Optical Rotation(c = 2, H2O) [a]20 D = 9.4 ± 2°
Physical Description
Solid; [Merck Index] White powder; [Alfa Aesar MSDS]
Solid
Collision Cross Section
160.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
152 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
150.7 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
166 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
152 Ų [M-H]-
물리화학적 성질
- 녹는점
- 163 · 163-167 °C(lit.)
- 끓는 점
- 387.12 °C · 387.12°C (rough estimate)
- 밀도
- 1.4221 · 1.4221 (rough estimate)
- 굴절률
- 9 ° · 9 ° (C=2, H2O)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 50 mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.39 · 9.39±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수소이온지수(pH)
- 9.05 · 9.05
- 생물학적 소스
- synthetic (organic)
- 수용성
- 물, 디메틸설폭사이드 및 메탄올에 용해됩니다.
- Merck
- 14 · 14,9877
- BRN
- 754904 · 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
- -1.581 · -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
GHS Classification
This chemical does not meet GHS hazard criteria for 85.7% (12 of 14) of all reports.
Warning
H315 (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.
유해성 정보
Regulatory Information
Chemical: Uridine
Status: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31621
Uridine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryCauses 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 CategoriesSkin Irrit. 2 (14.3%)
독성 정보
Toxicity DataMouse(ip): LD50 4335 mg/kg
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YR1450000
- HS 번호
- 29335990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 기존화학 물질
- KE-30340
- F 고인화성물질
- 10
- 위험 참고 사항
- Keep Cold
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
WHI7HQ7H85
URIDINE
Established Pharmacologic Class [EPC] - Pyrimidine Analog
Chemical/Ingredient structural concept [Chemical/Ingredient] - Pyrimidines
Chemical/Ingredient structural concept [Chemical/Ingredient] - Analogs/Derivatives
Uridine is a Pyrimidine Analog. The chemical classification of uridine is Pyrimidines and Analogs/Derivatives.
Tissue LocationsPlacenta
Cellular LocationsExtracellular
Metabolite PathwaysBeta Ureidopropionase Deficiency
용도 및 제조
UsesNucleoside found throughout nature; [Merck Index]
General Manufacturing InformationUridine: ACTIVE
응용 분야
용도Uridine is a nucleoside, contains a uracil attached to a ribose ring via a β-N1-glycosidic bond
일반 설명Uridine 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)
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의ChEBI: Uridine is a ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond. It has a role as a human metabolite, a fundamental metabolite and a drug metabolite. It is functionally related to a uracil.
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