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74150-27-9生产厂家

74150-27-9价格

74150-27-9

74150-27-9结构式
74150-27-9结构式

化源商城直购

中文名 匹莫苯
英文名 pimobendan
中文别名 6-[2-(4-甲氧基苯基)-1H-苯并咪唑-5-基]-5-甲基-4,5-二氢-3(2H)-哒嗪酮
4,5-二氢-5-甲基-6-[2-(4-甲氧基苯基)-1H-苯并咪唑-5-基]-3(2H)一哒嗪酮
英文别名 (RS)-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one
4,5-Dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-3(2H)-pyridazinone
3(2H)-Pyridazinone, 4,5-dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-
(±)-UD CG 115BS
6-[2-(4-Methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one
dl-Pimobendan
rac PiMobendan
Vetmedin
UD CG 115 BS
6-[2-(4-Methoxyphenyl)-1H-benzimidazol-6-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one
Pimobendam
Pimobendan
Pimobendanum
UD-CG 115
UNII:34AP3BBP9T
2-(4-methoxyphenyl)-5(6)-(5-methyl-3-oxo-4,5-dihydro-2H-6-pyridazinyl)benzimidazole
3(2H)-Pyridazinone, 4,5-dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-5-methyl-
MFCD00761648
UNII:9HTU209Z0N
2-(4-methoxy-phenyl)-5-(5-methyl-3-oxo-4,5-dihydro-2H-6-pyridazinyl) benzimidazole
UNII:613JXV89SU
Pimobendane
Acardi
6-[2-(4-Methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-3(2H)-pyridazinone
UD-CG115 BS
密度 1.4±0.1 g/cm3
熔点 249 °C(dec.)
分子式 C19H18N4O2
分子量 334.372
精确质量 334.142975
PSA 79.37000
LogP 1.81
外观性状 固体;White to Almost white powder to crystal
折射率 1.693
储存条件 0-10°C;存放于惰性气体之中;避免空气,加热
分子结构

1、 摩尔折射率:94.00

2、 摩尔体积(cm3/mol):245.2

3、 等张比容(90.2K):657.6

4、 表面张力(dyne/cm):51.7

5、 极化率(10-24cm3):37.26

计算化学

1.疏水参数计算参考值(XlogP):2.7

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:15

6.拓扑分子极性表面积79.4

7.重原子数量:25

8.表面电荷:0

9.复杂度:530

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR6373000
CHEMICAL NAME :
3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-methoxyphenyl)-1H-benzimidazol-5- yl)-5-methyl-
CAS REGISTRY NUMBER :
74150-27-9
LAST UPDATED :
199612
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C19-H18-N4-O2
MOLECULAR WEIGHT :
334.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
950 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Endocrine - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 25,815,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/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: 43,561,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 25,815,1994 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16800 mg/kg/4W-I
TOXIC EFFECTS :
Endocrine - changes in adrenal weight Blood - normocytic anemia Related to Chronic Data - death
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1911 mg/kg/39W-I
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18200 mg/kg/52W-I
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in other cell count (unspecified)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
56 mg/kg/4W-I
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1400 mg/kg/4W-I
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
56 mg/kg/4W-I
TOXIC EFFECTS :
Cardiac - pericarditis
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,561,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
27300 mg/kg/26W-C
TOXIC EFFECTS :
Cardiac - change in rate Cardiac - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 42,529,1991 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
24 gm/kg
SEX/DURATION :
male 8 week(s) pre-mating female 2 week(s) pre-mating - 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,415,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
390 mg/kg
SEX/DURATION :
female 17-21 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,415,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1300 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 43,415,1992

符号 GHS06
GHS06
信号词 Danger
危害声明 H301
警示性声明 Missing Phrase - N15.00950417
危害码 (欧洲) Xi
风险声明 (欧洲) R36/37/38:Irritating to eyes, respiratory system and skin .
安全声明 (欧洲) S26-S37/39
危险品运输编码 UN 2811 6.1 / PGIII
WGK德国 3
RTECS号 CY8980000
海关编码 29310095

在搅拌下,往二硫化碳、无水三氯化铝和乙酰苯胺的溶液中,缓慢滴加丙酰氯,回流。冷至室温,将下层反应液缓慢倒入碎冰中。滤集固体,乙醇重结晶,得化合物(I),收率51.3%。
二甲胺盐酸盐和36%甲醛溶液,室温反应。加入醋酐,搅拌至反应液澄清。然后加入化合物(Ⅰ),100℃反应。60~65℃下减压蒸出低沸物,加丙酮回流。蒸出丙酮,加水溶解,用二氯甲烷洗3次。水层再加二氯甲烷,冷却下用2.5mol/L,氢氧化钠中和至Ph=10。分出有机层,水层用二氯甲烷提取。合并有机层,用饱和盐水洗2次,干燥,浓缩。再和碘甲烷在丙酮中,室温反应。过滤,干燥,得化合物(Ⅱ)。 化合物(Ⅱ)溶于含水甲醇,再加入氰化钾的水溶液,室温搅拌。滤集固体,用大量水洗至无CN-离子,干燥,乙醇重结晶得化合物(Ⅲ),收率76.6%。
在搅拌和-5~0℃下,把化合物(Ⅲ)加到混酸中,反应。倾入碎冰中,加乙酸乙酯。滤集固体,水洗至中性,干燥,得化合物(Ⅳ),收率62.8%。
化合物(Ⅳ)和6mol/L盐酸,回流。冷至室温,过滤,干燥,得化合物(V),收率77.3%。
化合物(V)、95%乙醇和水合肼,搅拌回流。冷至室温,过滤,干燥,得化合物(VI),收翠92.3%。
化合物(Ⅵ)、对甲氧基苯甲酰氯和无水吡啶,40~50℃反应。倾入冷水中,滤集固体,干燥,然后和丙酮搅拌回流,冷至室温,过滤,干燥,得化合物(Ⅶ),收率51.4%。
化合物(Ⅶ)、10%钯-炭和95%乙醇,在0.49MPa的氢压下,振荡搅拌。过滤得化合物(Ⅷ)和钯-炭的混合物,可直接用于下步反应。母液回收的产物用丙酮-二甲基甲酰胺重结晶,可得化合物(Ⅷ)。
化合物(Ⅷ)和钯-炭的混合物在述雕酸中,回流。冷至室温,过滤。滤液加冰水,用25%氢氧化钠中和。滤集固体,干燥,用硅胶G柱层析,得匹莫苯,熔点175~178℃,收率68.7%[以化合物(Ⅶ)计]。往匹莫苯中滴加氯化氢饱和的乙醇,搅拌。滤集固体,干燥,得盐酸匹莫苯,收率79.4%,熔点>300℃。74150-27-9 preparation
方法2:乙酰苯胺、丙酰氯和三氯化铝在二硫化碳中反应,得化合物(I),收率76%。
化合物(I)、冰醋酸和溴反应,粗品经硅胶G柱层析,得化合物(Ⅱ),收率74%。
在冰浴搅拌下,往氢化钠的四氢呋喃中,缓慢滴加丙二酸二乙酯,反应。把该反应液加到化合物(Ⅱ)的四氢呋喃溶液中,室温搅拌。用2mol/L盐酸酸化至Ph=1,加入乙醚。分出有机层,水层用乙醚萃取3次。合并有机层,用饱和碳酸氢钠、氯化钠水溶液洗至中性,干燥。蒸出乙醚,用硅胶G柱层析,得化合物(Ⅲ),收率89.4%。
化合物(Ⅲ)经混酸硝化,粗品经硅胶G柱层析,得化合物(Ⅳ),收率89%。74150-27-9 preparation
化合物(Ⅱ)先经混酸硝化,再和丙二酸二乙酯反应,同样得化合物(Ⅳ),二步收率68.8%。74150-27-9 preparation
化合物(Ⅳ)溶于乙醇,加入5%氢氧化钠,70~80℃:搅拌。用3mol/L盐酸酸化至Ph=1,70~80℃再搅拌。冷至室温,加入乙酸乙酯。分出有机层,水层用乙酸乙酯提取3次。合并有机层,干燥。蒸出溶剂,用硅胶G柱层析,得化合物(V),收率85%。
化合物(V)溶于二苯醚,在160~170℃搅拌至无二氧化碳气泡放出。冷却,滤集固体,用少量石油醚洗,干燥得化合物(Ⅵ),收率82%。
化合物(Ⅵ)、无水乙醇和85%水合肼回流反应,得化合物(Ⅶ),收率92%。
化合物(Ⅶ)溶于无水乙醇,在5%钯-炭存在下,用85%水合肼在70~80℃还原后,再经硅胶G柱层析,得化合物(Ⅷ),收率88%。
在偏重亚硫酸钠、水和甲醇中,化合物(Ⅷ)和对甲氧基苯甲醛在25~60℃缩合,粗品经硅胶G柱层析,得匹莫苯,收率92%,熔点240~241℃(分解)(该熔点和方法1中匹莫苯的熔点有很大出入)。匹莫苯再和盐酸-乙醇饱和溶液反应,得盐酸匹莫苯,收率80%,熔点>310℃(分解)。74150-27-9 preparation

海关编码 29310095