Pyrimethamine 乙胺嘧啶

CAS 58-14-0 MFCD00057350

化学结构图

58-14-0
SMILES: CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

化学属性

Mol. FormulaC12H13ClN4
Mol. Weight249
Melting Point239.0 to 243.0 deg-C
Solubility<0.01 G/100 ML AT 21 ºC
Appearance 白色结晶性粉末、无臭、无味。熔点： 239-242℃ ,炽灼残渣： ≤0.1%
Density1.305

别名和识别编码

Chemical NamePyrimethamine
CAS Number58-14-0
Synonym 2,4-二氨基-6-乙基-5-对氯苯基嘧啶 {Chem { Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl- 乙嘧啶,息疟定 4753 R.P. 5-(4-Chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine 乙胺嘧啶 Malocid pyrimethamine (INN) Pirimecidan Darachlor 5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine 5-(4’-chlorophenyl BW 50-63 Malocide Pirimetamina 比利美胺 2,4-Diamino 5-(4'- P Tindurin 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine Chloridine Khloridin Pyrimethamin Erbaprelina 6-乙基-5-(4-氯苯基)-2,4-嘧啶二胺
MDL NumberMFCD00057350
PubChem Substance ID253660065
Beilstein Registry Number219864
EC Number200-364-2
Chemical Name Translation乙胺嘧啶
Reaxys-RN219864
Merck Number7985
Wiswesser Line NotationT6N CNJ BZ DZ ER DG& F2
LabNetwork Molecule IDLN00189935
InChIInChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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分类

  • Bases & Related Reagents
  • {SNA} Analytical Standards,
  • Nucleotides
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards P - R, Pharmaceutical Standards,
  • {SNA} Additional
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Antibiotics, Bacteriostatic, Bioactive Small Molecules, Cell Biology, Chemical Structure, Chromatography, Clinical Standards, Folic Acid Metabolism, Metabolic Pathways, Metabolomics, Others, P, PU - PZ, Principle
  • Heterocycles
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Pharmaceuticals
  • Amines

产品应用

  • 抗疟药，用于疟疾的病因预防及抗复发治疗。

相关文献及参考

  • Loutfy, M.A., et al.: Anal. Profiles Drug Subs., 12, 463 (1983),
  • Leport, C., et al.: Am. J. Med., 84, 94 (1988),
  • McIntosh, H.M., et al.: Ann. Trop. Med., Parasitol., 93, 265 (1998),
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
RTECSUV8140000
Signal word
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
Safety Statements
UN Number 3077
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P308+P313
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class9
Storage condition 0-6°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 92 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 6,185,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 440 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
REFERENCE :
   JCHEEU Journal of Chemotherapy.  (Edizioni Riviste Scientifiche, via R.
   Giuliani, 419, 50141 Florence, Italy)  V.1-    1989-
   Volume(issue)/page/ye

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 4,205,1971

TYPE OF TEST            :

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 74 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 9,658,1974

TYPE OF TEST            : LD5

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 50 ug/kg
REFERENCE :
   SJDBA9 Soviet Journal Developmental Biology (English Translation).
   Translation of Ontogenez. (Plenum Pub. Corp., 233 Spring St., New York, NY
   10013)  V.1-    1970-  Volume(issue)/page/year: 4,122,1973

TYPE OF TEST            : Micronucleus test
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 1 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 287,71,1993

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 5 mg/kg
REFERENCE :
   TGANAK Tsitologiya i Genetika.  Cytology and Genetics.  For English
   translation, see C

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 50 ug/kg
REFERENCE :
   SJDBA9 Soviet Journal Developmental Biology (English Translation).
   Translation of Ontogenez. (Plenum Pub. Corp., 233 Spring St., New York, NY
   10013)  V.1-    1970-  Volume(issue)/page/year: 4,122,1973

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 2500 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 287,29,1993

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 400 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 125 mg/kg
SEX/DURATION            : female 8-12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   AKGIAO Akushcherstvo i Ginekologiya (Moscow).  (V/O Mezhdunarodnaya Kniga,
   113095 Moscow, USSR) No.1-    1936-  Volume(issue)/page/year: 43(12),10,1967

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500 ug/kg
SEX/DURATION            : female 1 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - cytological changes (including
   somatic cell genetic material)
REFERENCE :
   GNKAA5 Genetika (Moscow).  For English translation, see SOGEBZ.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  No.1-    1965-
   Volume(issue)/page/year: 3(4),52,1967

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - pig
DOSE                    : 90 mg/kg
SEX/DURATION            : female 11-35 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - gastrointestinal
   system
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 10,51,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - pig
DOSE                    : 43200 ug/kg
SEX/DURATION            : female 11-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmenta

其他信息

  • 用途一:抗疟药，用于疟疾的病因预防及抗复发治疗
  • 上游原料:丙酸乙酯 --> 对氯苯乙腈
  • MOL 文件:58-14-0.mol
  • Sigma Aldrich:58-14-0(sigmaaldrich)
  • 无臭、无味。微溶于一般有机溶剂如乙醇、氯仿等。几乎不溶于冷水。溶于稀无机酸。
  • MSDS 信息:2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine(58-14-0).msds
  • 用途二:抗疟药，用于疟疾的病因预防及抗复发治疗。

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. P - Bioactive Small Molecules
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Clinical Standards - Chromatography
  5. Antibiotics - Clinical Standards
  6. Principle - Antibiotics
  7. Bacteriostatic - Principle

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