化合物信息

ID:104715

分子式

C₁₃H₁₃N₅O₂

精确质量

271.10692468

InChI

InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)

InChIKey

REZGGXNDEMKIQB-UHFFFAOYSA-N

Canonic Smiles

CCCOc1ccccc1c1nc(=O)c2c([nH]1)nn[nH]2

Isomeric Smiles

CCCOc1c(cccc1)c1nc(=O)c2c([nH]1)nn[nH]2

JChem

Acid pKa

6.142505

质子受体

质子供体

LogD (pH = 5.5)

2.1778634

LogD (pH = 7.4)

0.67267376

Log P

2.2653344

摩尔折射率

74.2885

极化性

26.967182

极化表面积

92.26

可自由旋转的化学键

里宾斯基五规则

true

别名

ZAPRINASTM & B 229481,4-Dihydro-5-[2-propoxyphenyl]-7H-1,2,3-triazolo[4,5d]pyrimidine-7-oneZaprinastM&B 22,9481,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one

IUPAC标准名

5-(2-propoxyphenyl)-1H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one 5-(2-propoxyphenyl)-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC传统名

zaprinast 5-(2-propoxyphenyl)-3H,4H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

PubChem SID

24278072162093036

维基百科标题

Zaprinast

安全信息

保存条件

Room Temperature (15-30°C)

MSDS下载

下载链接

危险公开号

36/37/38

GHS警示性声明

P261-P305+P351+P338

Warning

急性毒性（口服，皮肤接触，吸入），类别4

皮肤刺激，类别2

眼刺激，类别2

皮肤过敏，类别1

特定目标器官毒性 -一次接触，类别3

H315-H319-H335

dust mask type N95 (US), Eyeshields, Gloves

刺激性 (Xi)

26-36

产品相关信息

98%

下载链接

理化性质

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: soluble0.11 mg/mL

H2O: insoluble

DMSO: soluble10 mg/mL

white solid

药理学性质

human ... PDE2A(5138), PDE4A(5141), PDE4B(5142), PDE4D(5144)

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MP Biomedicals

02156931

Purity: 98%
Selective cGMP specific phosphodiesterase inhibitor.

Sigma Aldrich

Z0878

Biochem/physiol Actions
Selective inhibitor of cGMP-specific phosphodiesterases V and VI (PDE5/6) and an agonist at the G protein-coupled receptor 35 (GPR35).1

数据源提供

• Burns, F., et al., Biochem. J. , 238 : 487, (1992).

• Gillespie, P.G., et al., Mol. Pharmacol. , 36 : 773, (1989).

别名

ZAPRINASTM & B 229481,4-Dihydro-5-[2-propoxyphenyl]-7H-1,2,3-triazolo[4,5d]pyrimidine-7-oneZaprinastM&B 22,9481,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one

IUPAC标准名

5-(2-propoxyphenyl)-1H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one 5-(2-propoxyphenyl)-3H,4H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC传统名

zaprinast 5-(2-propoxyphenyl)-3H,4H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

PubChem SID

维基百科标题

Purity: 98%
Selective cGMP specific phosphodiesterase inhibitor.

Sigma Aldrich

Z0878

Biochem/physiol Actions
Selective inhibitor of cGMP-specific phosphodiesterases V and VI (PDE5/6) and an agonist at the G protein-coupled receptor 35 (GPR35).1

数据源提供

• Burns, F., et al., Biochem. J. , 238 : 487, (1992).

• Gillespie, P.G., et al., Mol. Pharmacol. , 36 : 773, (1989).

安全信息

保存条件

Room Temperature (15-30°C)

MSDS下载

下载链接

危险公开号

36/37/38

GHS警示性声明

P261-P305+P351+P338

Warning

急性毒性（口服，皮肤接触，吸入），类别4

皮肤刺激，类别2

眼刺激，类别2

皮肤过敏，类别1

特定目标器官毒性 -一次接触，类别3

H315-H319-H335

dust mask type N95 (US), Eyeshields, Gloves

刺激性 (Xi)

26-36

产品相关信息

98%

下载链接

理化性质

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: soluble0.11 mg/mL

H2O: insoluble

DMSO: soluble10 mg/mL

white solid

药理学性质

human ... PDE2A(5138), PDE4A(5141), PDE4B(5142), PDE4D(5144)