CAS 69-74-9 MFCD00012839-1-Beta-D-Arabinofuranosylcytosine Hydrochloride 盐酸阿糖胞苷 TAO{mole}

1-Beta-D-Arabinofuranosylcytosine Hydrochloride 盐酸阿糖胞苷

CAS 69-74-9 MFCD00012839

化学结构图

SMILES: Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1

化学属性

Mol. Formula	C9H14ClN3O5
Mol. Weight	279.68
Melting Point	197-198°C
Appearance	本品为白色细小针状结晶或结晶性粉末。无臭，在水中极易溶解，略溶于甲醇及乙醇，在乙醚中微溶。mp189-195℃ (分解)。比旋度应为+127°- 133°(10 mg/m1)。酸性及碱性水溶液中水解生成阿糖尿苷，最稳定pH值为 6.9。 crystalline
TSCA	No
Boiling Point	545.7°C at 760 mmHg
Flash Point	283.8°C

别名和识别编码

Chemical Name	1-Beta-D-Arabinofuranosylcytosine Hydrochloride
Synonym	Cytarabine (hydrochloride) {LY} Cytarabine (hydrochloride) Cytarabine Hydrochloride Cytonal Cytosar Cytosar U Cytosar-U Cytosine Arabinoside beta Ara C beta-Ara C {} {LY} Cytarabine (hydrochloride) {} {} {LY} Cytarabine (hydrochloride) {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cytarabine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00012839
CAS Number	69-74-9
PubChem Substance ID	6252
EC Number	200-713-9
Chemical Name Translation	盐酸阿糖胞苷
LabNetwork Molecule ID	LN01343518
InChI	InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1
Canonical SMILES	O=C1N=C(C=CN1[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O2)N.Cl

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安全信息

WGK Germany3

GHS Symbol

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。
P203
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。
P264+P265
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
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。
P302+P352
P305+P351+P338
P308+P313
P318
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P333+P313
P333+P317
P337+P313
P337+P317
P362+P364
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H317 May cause an allergic skin reaction 可能导致皮肤过敏
H319 Causes serious eye irritation 严重刺激眼睛
H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
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

Signal word

RTECSUQ4975000

Hazard Codes Xn

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；
S24 Avoid contact with skin 避免皮肤接触；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S37 Wear suitable gloves 戴适当手套；

Risk Statements

R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
R36 Irritating to eyes 刺激眼睛
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应

Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moist

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Primate - monkey
DOSE/DURATION           : 396 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Gastrointestinal - changes in structure or function of salivary glands
   Gastrointestinal - nausea or vomiting
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 8,353,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  V

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 6,1255,1972

TYPE OF T

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 825 mg/kg
TOXIC EFFECTS :
   Behavioral - food intake (animal)
   Behavioral - changes in motor activity (specific assay)
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 6,1255,1972

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 10 mg/L
REFERENCE :
   EJCAAH European Journal of Cancer.  (Oxford, UK)  V.1-17(6), 1965-1981. For
   publisher information, see EJCODS.  Volume(issue)/page/year: 6,379,1970

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Leukocyte
DOSE/DURATION           : 100 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   29,1881,1969

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 5 mg/L
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:
   12,85,1988

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 10 mg/L
REFERENCE :
   EJCAAH European Journal of Cancer.  (Oxford, UK)  V.1-17(6), 1965-1981. For
   publisher information, see EJCODS.  Volume(issue)/page/year: 6,379,1970

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 1000 ppm
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 211,153,1989

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 240 mg/kg/3D (Continuous)
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 280 mg/kg
SEX/DURATION            : female 15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - biochemical and metabolic
REFERENCE :
   JONRA9 Journal of Neurochemistry.  (Raven Press, 1185 Ave. of the Americas,
   New York, NY 10036) V.1-    1956-  Volume(issue)/page/year: 34,950,1980

其他信息

用途二:抗肿瘤药。主要治疗急性白血病及消化道癌，对多数实体瘤无效。眼部带状疱疹、单纯疱疹性结膜炎也有一定疗效。骨髓抑制、消化道反应常见，少数病人可有肝功能异常、发热、皮疹。用药期间应严格检查血象。
方法一:方法一、5'-胞苷-磷酸(5'-CMP)为原料胞嘧啶核苷盐酸盐的制备 5'-胞苷-磷酸100g悬浮于800ml蒸馏水中，加入约50ml浓氨水，调节pH值为8-9，不溶物可过滤除去，稀释至1L后加入氢氧化镧凝胶1L，升温至90℃搅拌水解(水解过程中可通过对氢氧化镧凝胶的电泳分析来确定反应终点)，当电泳纸上5'-胞苷-磷酸斑点消失并有胞嘧啶核苷的斑点出现后(约需25h)反应结束，离心得上清液，沉淀用6L蒸馏水洗两次后离心，将洗液与上清液混合。减压浓缩，浓缩中可过滤除去不溶物，浓缩至约0.2L后停止，冷却，用6mol/L盐酸调节pH为2.5-3，即有白色结晶析出，加100m1 95%乙醇，冰箱冷却过夜后过滤，用稀醇及无水乙醇洗涤，得产品。 5'-胞苷-磷酸[氨水，氢氧化镧]→[pH8-9, 90℃, 25h]胞嘧啶核苷盐酸盐胞嘧啶阿拉伯糖苷的制备 300ml三氯氧磷先预冷20min，加预冷的蒸馏水30ml，有盐酸气体放出，5min后，将反应液置冰盐浴30min。加入乙酸乙酯2L及胞嘧啶核苷盐酸盐40g，热水浴中80℃回流，时间约为40-50min。将反应液倾入4L蒸馏水中，50℃减压蒸出乙酸乙酯。浓缩液用氢氧化钠溶液调pH为3-3.5，加浓氨水，80℃水解10min，过滤除去不溶物。滤液调pH为2.5-3，上活性炭柱，分别用pH为3的蒸馏水和60℃的50%乙醇-1%氨水洗脱，将洗脱液浓缩至20ml左右，调pH为3，加乙醇冷却结晶，过滤，得产品。胞嘧啶核苷盐酸盐[三氯氧化磷，乙酸乙酯，水]→[0-80℃, 40-50min]2, 2'-氧桥-3',5'-二乙酰基胞嘧啶核苷盐酸盐[氨水]→[80℃,10min]阿糖胞苷阿糖胞苷盐酸盐的制备将阿糖胞苷22g加入2%盐酸-甲醇440ml及甲醇220ml，50℃水浴加热溶解，活性炭脱色半小时后过滤，浓缩，冰箱冷却过夜，过滤得粗品，用30倍甲醇重结晶得纯品。阿糖胞苷[盐酸，甲醇]→[50℃, 30min]阿糖胞苷盐酸盐方法二、以葡萄糖酸钙为原料 D-阿拉伯糖的制备投料为葡萄糖酸钙(m)：硫酸铁(m)：无水乙酸钡 (m)：水(V)：过氧化氢(V)=1：0.077：0.14：13：1.2-1.3。葡萄糖酸钙加水加热溶解后，加入事先配好的乙酸钡溶液和硫酸铁溶液的混合液，搅拌升温至95℃，过滤除去不溶物，滤液加一半用量的过氧化氢于40-56℃反应30min，静置30min，再于40℃加入剩余的过氧化氢反应30min，加入草酸过滤除去草酸钙，滤液在50℃以下
储运特性:库房通风低温干燥
上游原料:乙醇 --> 氢氧化钠 --> 电泳 --> 胞苷 --> 氢氧化镧 --> 阿糖胞苷 --> 环胞啶
方法二:环胞苷经水解、开环、成盐而得。
MOL 文件:69-74-9.mol
{Chemical
刺激数据:眼睛-人 21 毫克/7天轻度; 眼睛-兔子 42 毫克/14天中度
可燃性危险特性:可燃; 燃烧产生有毒氮氧化物和氯化物烟雾
毒性分级:中毒
参考质量标准:原料中国药典2000年版619页指标名称指标指标名称指标含量(C9H13N305.HCl)/% 97.0-103.0/干燥失重/% ≤0.5 注射剂中国药典2000年版619页指标名称指标指标名称指标含量(C9H13N305.HCl)/% 93.0-107.0/含量均匀度/符合规定无菌符合规定 pH值(10mg m1) 4.0-6.0 其他符合注射剂有关规定干燥失重/% ≤0.3
用途三:抗恶性肿瘤药，是急性粒细胞白血病的首选药物。
盐酸阿糖胞苷价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 227180050 盐酸阿糖胞苷 Cytosine beta-D-arabinofuranoside hydrochloride 99%, crystallin
Acros Organics:Cytosine beta-D-arabino