CAS 54-42-2 MFCD00134656-(+)-5-Iodo-2'-deoxyuridine 5-碘-2-脱氧尿苷 TAO{mole}

(+)-5-Iodo-2'-deoxyuridine 5-碘-2-脱氧尿苷

CAS 54-42-2 MFCD00134656

化学结构图

SMILES: O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1I

化学属性

Mol. Formula	C9H11IN2O5
Mol. Weight	354.10
Density	2.1
Melting Point	194°C
TSCA	Yes
Solubility	1.6 G/L (20 ºC)
Stability	对空气敏感，对光敏感
Appearance	本品为白色结晶性粉末。在水、甲醇、乙醇或丙酮中微溶，在氯仿或乙醚中几乎不溶；在氢氧化钠试液中易溶，在稀盐酸中微溶。mp 176-184℃ (分解)。
Refractive index	30 ° (C=1, 1mol/L NaOH)

别名和识别编码

Chemical Name	(+)-5-Iodo-2'-deoxyuridine
CAS Number	54-42-2
Synonym	Idoxuridine {LY} Idoxuridine {} {LY} Idoxuridine {} {} {LY} Idoxuridine {} {} {} {LY} Idoxuridine {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Idoxuridine {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00134656
EC Number	200-207-8
Beilstein Registry Number	30397
Merck Number	4891
PubChem Substance ID	87571623
Reaxys-RN	30397
Chemical Name Translation	5-碘-2-脱氧尿苷
Wiswesser Line Notation	T6NVMVJ EI A- ET5OTJ B1Q CQ
LabNetwork Molecule ID	LN00188566
Canonical SMILES	O=C(N1)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C(I)C1=O

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产品应用

A cytotoxic analog of thymidine, antiviral

安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R45 May cause cancer 可能致癌
R46 May cause inheritable genetic damage 可能引起遗传基因损害
R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
R62 Possible risk of impaired fertility 有削弱生殖能力的危险
R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P301+P312+P330
P302+P350
P305+P351+P338
P308+P313
P332+P313
P337+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSYU7700000

Storage condition 2-8°C {LY} 2-8°C Air & Light Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C

Hazard statements

H302+H312+H332
H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
H315 Causes skin irritation 会刺激皮肤
H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Hazard Codes Xn T

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg/8W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 29,1132,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,153,1995

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,911,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ADTEAS Advances in Teratology.  (New York, NY)  V.1-5, 1966-72.
   Discontinued.  Volume(issue)/page/year: 3,181,1968

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 15 mg/L
REFERENCE :
   CSHSAZ Cold Spring Harbor Symposia on Quantitative Biology.  (Cold Spring
   Harbor Laboratory, POB 100, Cold Spring Harbor, NY 11724)  V.1-    1933-
   Volume(issue)/page/year: 29,151,1965

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 128 mg/L
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   86,180,1986

TYPE OF TEST            : Sperm Morphology
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 100 mg/kg/5D
REFERENCE :
   PNASA6 Proceedings of the National Academy of Sciences of the United States
   of America.  (National Academy of Sciences, Printing & Pub. Office, 2101
   Constitution Ave., Washington, DC 20418) V.1-    1915-
   Volume(issue)/page/year: 72,4425,1975

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 50 mg/L
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   283,817,1981

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie.  (Akademie-Verlag GmbH,
   Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.)  V.1-    1960-
   Volume(issue)/page/year: 12,583,1972

{hazard

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Ocular
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 1350 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   AROPAW Archives of Ophthalmology (Chicago).  (AMA, 535 N. Dearborn St.,
   Chicago, IL 60610)  New series: V.1-44(3), 1929-50; V.64-    1960-
   Volume(issue)/page/year: 93,46,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 300 mg/kg
SEX/DURATION            : female 7 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 29,198,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Ocular
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 3250 ug/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   RIGAA3 Rinsho Ganka.  Clinical Ophthalmology.  (Igaku Shoin, 5-24-3 Hongo,
   Bunkyo-ku, Tokyo 113-91, Japan)  V.1-    1947-  Volume(issue)/page/year:
   26,631,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent -

其他信息

上游原料:2-丙炔-1-醇 --> 2-氨基恶唑 --> 胞嘧啶 --> L-氢化乳清酸 --> 唑啉 --> 核苷
比旋光度:280 ° (c=1,1M NaOH)
F:8-23
存储注意事项:光敏感
MSDS 信息:2'-Deoxy-5-iodouridine(54-42-2).msds
碘苷价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 65010380 5-碘-2-脱氧尿核苷(+4℃) 500mg 96.8元 2011/04/16 I0258 5-碘-2'-脱氧尿苷 5-Iodo-2'-deoxyuridine 25G 6110元 2011/04/16 I0258 5-碘-2'-脱氧尿苷 5-Iodo-2'-deoxyuridine 1G 560元
TCI Shanghai:5-碘-2'-脱氧尿苷 5-Iodo-2'-deoxyuridine,>;99.0%(T)(54-42-2)
MOL 文件:54-42-2.mol
检测方法:T,NMR,HPLC,Rotation
敏感性:Air & Light Sensitive
Acros Organics:(+)-5-碘-2'-脱氧尿苷 (+)-5-Iodo-2'-deoxyuridine, 99%(54-42-2)
方法一:有多种生产方法。从丙炔醇开始，经氧化、酯化，再与2-氨基噁唑啉核苷环合可得2,2-氧桥嘧啶核苷，然后经酰化、溴化、催化氢化、水解得到碘苷。从鱼精可以制取5'-脱氧胞嘧啶核苷酸，经进一步加工亦可制得碘苷。
Sigma Aldrich:54-42-2(sigmaaldrich)
用途二:抗病毒药，用于单纯疱疹角膜炎和疱疹脑炎等。
参考质量标准:原料中国药典2000年版967页指标名称指标指标名称指标比旋度(25℃，10mg ml) +25°-30° 5-碘尿嘧啶分光光度法检查符合要求干燥失重/% ≤1.0 滴眼液中国药典2000年版967页指标名称指标指标名称指标含量(C9H11IN2O5)/% /90.0-110.0/5-碘尿嘧啶/分光光度法检查符合要求 pH值 4.0-5.7 其他符合滴眼剂有关规定
Idoxuridine is a cytotoxic, anti-viral thymidine analog.
用途一:抗病毒药。用于疱疹性角膜炎及其他疱疹性眼病。长期应用可出现角膜浑浊或染色小点，不易消失。孕妇禁用。
图谱信息:5-碘-2'-脱氧尿苷(54-42-2)红外图谱(IR2) 5-碘-2'-脱氧尿苷(54-42-2)红外图谱(IR1) 5-碘-2'-脱氧尿苷(54-42-2)核磁图( 1 HNMR) 5-碘-2'-脱氧尿苷(54-42-2)核磁图( 13 CNMR) 5-碘-2'-脱氧尿苷(54-42-2)质谱(MS)
Alfa Aesar:5-碘代-2'-脱氧尿嘧啶核苷,98% (+)-5-Iodo-2'-deoxyuridine, 98%(54-42-2)