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3-甲基黄嘌呤

3-甲基黄嘌呤用途

3-Methylxanthine 是黄嘌呤衍生物,能够抑制 GMP,在豚鼠分离的气管肌肉中测得其 IC50 值为 920 μM。

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3-甲基黄嘌呤名称

[ CAS 号 ]:
1076-22-8

[ 中文名 ]:
3,7-二氢-3-甲基-1H-嘌呤-2,6-二酮

[ 英文名 ]:
3-Methylxanthine

[中文别名 ]:

[英文别名 ]:

6-Hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one
3-METHYL XANTHINE
3-METHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE
3,7-dihydro-3-methyl-1h-purine-6-dione
1H-PURINE-2,6-DIONE,3,9-DIHYDRO-3-METHYL-
3-methyl-7H-purine-2,6-dione
2,6-Dihydroxy-3-methylpurine
3-Methyl-3,7-dihydro-1H-purine-2,6-dione
3,7-DIHYDRO-3-METHYL-1H-PURINE-2,6-DIONE
3-Methyl-1H-purine-2,6(3H,7H)-dione

3-甲基黄嘌呤生物活性

[ 描述 ]:

3-Methylxanthine 是黄嘌呤衍生物,能够抑制 GMP,在豚鼠分离的气管肌肉中测得其 IC50 值为 920 μM。

[ 相关类别 ]:

研究领域 >> 其他

天然产物 >> 糖和糖苷

[ 靶点 ]

GMP:920 μM (IC50)

Human Endogenous Metabolite

[参考文献]

[1]. Tanaka H, et al. Inhibition of cyclic GMP phosphodiesterase by xanthine derivatives relaxes guinea-pig trachealis smooth muscle. Clin Exp Pharmacol Physiol. 1991 Mar;18(3):163-8.

[2]. Yamamoto K, et al. Neurotoxic convulsions induced by theophylline and its metabolites in mice. Biol Pharm Bull. 1996 Jun;19(6):869-72.

[相关活性小分子]

3-甲基黄嘌呤物理化学性质

[ 密度 ]:
1.5±0.1 g/cm3

[ 沸点 ]:
322.4ºC at 760 mmHg

[ 熔点 ]:
>300 °C(lit.)

[ 分子式 ]:
C₆H₆N₄O₂

[ 分子量 ]:
166.137

[ 闪点 ]:
148.8ºC

[ 精确质量 ]:
166.049072

[ PSA ]:
83.54000

[ LogP ]:
-0.79

[ 外观性状 ]:
白色至奶油色固体

[ 蒸汽压 ]:
2.23E-05mmHg at 25°C

[ 折射率 ]:
1.627

[ 储存条件 ]:
2-8°C

[ 水溶解性 ]:
水溶性：不溶

3-甲基黄嘌呤MSDS

详细MSDS(安全技术说明书)

3-甲基黄嘌呤毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZD8750000

CHEMICAL NAME :: Xanthine, 3-methyl-

CAS REGISTRY NUMBER :: 1076-22-8

LAST UPDATED :: 199706

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C6-H6-N4-O2

MOLECULAR WEIGHT :: 166.16

WISWESSER LINE NOTATION :: T56 BM DN FNVMVJ F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,23,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 894 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: 25,653,1990

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 43,305,1900

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 43,305,1900

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 43,305,1900 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1600 mg/kg/16D-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - hematuria Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

REFERENCE :: JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 4,304,1984

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3-甲基黄嘌呤安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302

[ 警示性声明 ]:
P301 + P312 + P330

[ 危害码 (欧洲) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R22

[ 安全声明 (欧洲) ]:
S22-S24/25

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
1

[ RTECS号 ]:
ZD8750000

[ 海关编码 ]:
2942000000

3-甲基黄嘌呤合成路线

详细合成路线

3-甲基黄嘌呤海关

[ 海关编码 ]: 2942000000