CAS 3056-17-5 MFCD00132921-1-((2R,5S)-5-(Hydroxymethyl)-2,5-Dihydrofuran-2-Yl)-5-Methylpyrimidine-2,4(1H,3H)-Dione 1-((2R,5S)-5-(羟甲基)-2,5-二氢呋喃-2-基)-5-甲基嘧啶-2,4(1H,3H)-二酮 TAO{mole}

1-((2R,5S)-5-(Hydroxymethyl)-2,5-Dihydrofuran-2-Yl)-5-Methylpyrimidine-2,4(1H,3H)-Dione 1-((2R,5S)-5-(羟甲基)-2,5-二氢呋喃-2-基)-5-甲基嘧啶-2,4(1H,3H)-二酮

CAS 3056-17-5 MFCD00132921

化学结构图

SMILES: Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O

化学属性

Mol. Formula	C10H12N2O4
Mol. Weight	224.21
Melting Point	159-160°C
Solubility	DMSO 45 mg/mL Water 45 mg/mL Ethanol 20 mg/mL
Appearance	-46.1°(C=0.7，水)。也有报道[α] D 从乙醇-苯中得无色颗粒状固体，熔点165--166℃。也有报道从乙醇-乙醚中得结晶，熔点174℃。UV最大吸收(水)：266nm(ε10149)。[α] 20 -39.4°(C=0.701，水)。 23
Refractive index	-46 ° (C=0.69, H2O)

别名和识别编码

Chemical Name	1-((2R,5S)-5-(Hydroxymethyl)-2,5-Dihydrofuran-2-Yl)-5-Methylpyrimidine-2,4(1H,3H)-Dione
CAS Number	3056-17-5
Alfabeta Name	STAVUDINE
MDL Number	MFCD00132921
Synonym	Stavudine {LY} Stavudine {} {LY} Stavudine {} {} {LY} Stavudine {} {} {} {LY} Stavudine {} {} {} {} {LY} Stavudine {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Stavudine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	87559878
Reaxys-RN	618327
Chemical Name Translation	1-((2R,5S)-5-(羟甲基)-2,5-二氢呋喃-2-基)-5-甲基嘧啶-2,4(1H,3H)-二酮
Beilstein Registry Number	0618327
LabNetwork Molecule ID	LN00168979
InChI	InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
Canonical SMILES	OC[C@H]1O[C@@H](N2C=C(C)C(NC2=O)=O)C=C1

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

安全信息

Warnings IRRITANT

WGK Germany2

RTECSXP2075000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Signal word

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

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。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
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。
P308+P313
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Storage condition 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

GHS Symbol

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 20 umol/L
REFERENCE :
   MOPMA3 Molecular Pharmacology.  (Williams & Wilkins Co., 428 E. Preston St.,
   Baltimore, MD 21202) V.1-    1965-  Volume(issue)/page/year: 39,625,1991

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 600 mg/kg/3D (Continuous)
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   18,168,1991

其他信息

Stavudine for system suitability
MSDS 信息:3'-Deoxy-2',3'-didehydrothymidine(3056-17-5).msds
用途一:用作抗病毒药物
图谱信息:司他夫定(3056-17-5)红外图谱(IR1) 司他夫定(3056-17-5)质谱(MS)
用途二:抗病毒药。其生物利用度较高，有望改善抗HIV感染的现状。
方法一:胸苷溶于无水吡啶，冰盐冷却下滴加甲磺酰氯，搅拌。过滤，真空干燥，得磺酰化粗品，收率86.3%。粗品用90%乙醇重结晶，得精品。将磺酰化产物溶于氢氧化钠水溶液，回流。用盐酸中和。蒸去溶剂，残液加氯仿，滤除不溶物，蒸去氯仿，用乙酸乙酯结晶，得白色固体的环氧物，收率67.4%。乙醇重结晶2次可得白色絮状固体。将该环氧物溶于二甲亚砜，加入叔丁醇钾，在室温下搅拌。用50%乙酸的乙醇溶液中和至Ph=7。减压浓缩，剩余物用热丙酮洗。洗液过滤后浓缩，再加乙醇，活性炭脱色，过滤。蒸出乙醇，加少量苯旋转蒸发至溶液出现浑浊，静置。析出的固体用乙醇-苯(1：5)重结晶，得白色粉状的司他夫定，收率90%，熔点165～167℃。
司他夫定价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 D3580 2',3'-二脱氢-3'-脱氧胸苷 2',3'-Didehydro-3'-deoxythymidine 5G 2350元 2014/06/02 D3580 2',3'-二脱氢-3'-脱氧胸苷 2',3'-Didehydro-3'-deoxythymidine 1G 760元
TCI Shanghai:司他夫定 2',3'-Didehydro-3'-deoxythymidine,>;98.0%(LC)(T)(3056-17-5)
MOL 文件:3056-17-5.mol
Sigma Aldrich:3056-17-5(sigmaaldrich)
上游原料:乙酸乙酯 --> 甲基磺酰氯 --> 叔丁醇钾 --> 无水吡啶 --> 环氧物 --> beta-胸苷