기본 정보
- CAS
50-90-8- 표준 SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl- InChIKey
NJCXGFKPQSFZIB-RRKCRQDMSA-N- 분자식
- C9H11ClN2O5
- 평균 분자량
- 262.65 g/mol
- 단동위원소 질량
- 262.0356491
이름 및 식별자
- 우선 이름
- 5-Chloro-2'-deoxyuridine
- IUPAC
- 5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- 영어명
- 5-Chloro-2'-deoxyuridine
- 분자식
- C9H11ClN2O5
- 분자량
- 262.65
이름 및 동의어
5-Chloro-2'-deoxyuridine50-90-8Chlorodeoxyuridine5-ChlorodeoxyuridineUridine, 5-chloro-2'-deoxy-2'-Deoxy-5-chlorouridine55N9ZEH8KSNSC-749426RefChem:534338623-009-7CldU5-Chloro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
이름 더 보기
CLUDRNSC-371331, CDC5-Chlorodeoxyuridin5-CHLORODESOXYURIDINE5-chloro-2’-deoxy-uridin5-Chloro-2’-deoxyuridine
MFCD000065315-Chloro-2 -deoxyuridineCHEMBL505732AKOS027447511NSC 7494265-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione5-Chlorodeoxyuridine;CldU
데이터베이스 식별자
- CAS
50-90-8- PubChem CID
- 65510
- DTXSID
DTXSID50964486- ChEMBL
CHEMBL505732- UNII
- 55N9ZEH8KS
- EC Number
- 623-009-7
- Nikkaji
- J49.656A
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 386
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 176 · 176-179°C
- 밀도
- 1.5507 · 1.5507 (rough estimate)
- 굴절률
- 1.65 · 1.6500 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.73 · 7.73±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C9H11ClN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
- InChIKey
- NJCXGFKPQSFZIB-RRKCRQDMSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C=C(Cl)C(=O)NC2=O)C[C@@H]1O
화학적 성질
White Needles
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards Summary
Teratogenicity observed in rats administered 125-1,000 mg/kg on day 12 of gestation; [Shepard's Catalog of Teratogenic Agents] Intraperitoneal LD50 (rat) = 2,000 mg/kg; [RTECS] May cause irritation; Harmful by ingestion, inhalation, and skin absorption; Suspected carcinogen; [Sigma-Aldrich MSDS] See Uridine.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- YU7400000
- HS 번호
- 29349990
- risk_code
- 20/21/22-40
- hazard_code
- Xn
- safety_code
- 36/37/39-45
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요5-Chloro-2''-deoxyuridine (CldU) is a thymidine analog that is readily incorporated, following phosphorylation, into newly synthesized DNA in place of thymidine. Like 5-bromo-2’-deoxyuridine and 5-iodo-2’-deoxyuridine, CldU can be detected immunologically in cells and tissues. CldU can also be added to cells or tissues sequentially with another thymidine analog to label temporally distinct populations. The insertion of thymidine analogs, including CldU, can significantly alter DNA processing and replication, so these analogs have also been used as mutagens, clastogens, and antiviral compounds.
용도5-Chloro-2'-deoxyuridine (CldU) is a thymidine analog that is readily incorporated, following phosphorylation, into newly synthesized DNA in place of thymidine. Like 5-bromo-2’-deoxyuridine and 5-iodo-2’-deoxyuridine, CldU can be detected immunologically in cells and tissues. CldU can also be added to cells or tissues sequentially with another thymidine analog to label temporally distinct populations. The insertion of thymidine analogs, including CldU, can significantly alter DNA processing and replication, so these analogs have also been used as mutagens, clastogens, and antiviral compounds.[Cayman Chemical]
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