CAS 80-35-3|4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide|longin|SULFAMETHOXYPYRIDAZINE|N1-(6-Methoxypyridazin-3-yl)sulfanilamide|磺胺甲氧哒嗪|4-氨基-N-(6-甲氧基-3-哒嗪基)苯磺酰胺|Sulfame...

基本信息

化学结构

分子式

C₁₁H₁₂N₄O₃S

分子量

280.30298

精确质量

280.06301126

电荷

InChI

InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)

InChIKey

VLYWMPOKSSWJAL-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)N

Isomeric Smiles

COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1

计算属性

JChem

LogD (pH = 7.4)

-0.05

LogD (pH = 5.5)

0.45

Log P

0.47

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

6.84

极化表面积

107.20

极化性

27.43

摩尔折射率

72.39

LOG S

-2.91

数据来源

名称和标识

IUPAC标准名

4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide

IUPAC传统名

longin 4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide

别名

SULFAMETHOXYPYRIDAZINEN1-(6-Methoxypyridazin-3-yl)sulfanilamide磺胺甲氧哒嗪4-氨基-N-(6-甲氧基-3-哒嗪基)苯磺酰胺SulfamethoxypyridazineN1-(6-Methoxy-3-pyridazinyl)sulfanilamideSultirene3-Methoxy-6-sulfanilamidopyridazineSulphamethoxypyridazine4-Amino-N-(6-methoxy-3-pyridazinyl)-benzenesulfonamideLederkynParamid Supra6-Sulfanilamido-3-methoxypyridazineKynexSulfalexMidicelParamidExazol3-Sulfanilamide-6-methoxypyridazine3-p-Aminobenzenesulphonamido-6-methoxypyridazineN(1)-(6-Methoxy-3-pyridazinyl)sulfanilamidesulfamethoxypyridazineSulfametoxipiridazinesulfamethoxipyridazine6-Sulfanilamido-3-methoxypyridazineSulphamethoxypyridazine4-Amino-N-(6-methoxy-3-pyridazinyl)-benzenesulfonamide6-Methoxy-3-pyridazinylsulfanilamide3-Sulfanilamido-6-methoxypyridazineSolfametossipiridazina3-Methoxy-6-sulfanylamidopyridazine3-Sulfa-6-methoxypyridazine6-Methoxy-3-sulfanilamidopyridazine3-(p-Aminobenzenesulfamido)-6-methoxypyridazine3-(4-Aminobenzenesulfonamido)-6-methoxypyridazine

国际非专利药品(INN)

sulfamethoxypyridazinesulfametoxipiridazinasulfamethoxypyridazinum

名称和标识

数据登录号

EC号

CAS号

PubChem CID

PubChem SID

MDL号

Beilstein号

PubMed文献链接

13363378686472913615757134882782318334874869151352176311431418135599671358395013635077

IEDB Database

KEGG DRUG Database

CHEBI ID

Reaxys Registry

CHEMBL

MetaboLights数据库

专利号

BRENDA数据库

BRENDA Ligand数据库

Gmelin ID

BKMS React数据库

CompTox数据库

SureChEMBL数据库

LINCS数据库

ACToR数据库

Drug Central Database

2,515

数据登录号

化合物性质

产品相关信息

质检报告

下载链接

Empirical Formula (Hill Notation)

C11H12N4O3S

级别

VETRANAL™, analytical standard

应用领域

Long-acting sulfonamide used for treatment of systemic infections.

Antiseptic

Low acute toxicity

Free Base

理化性质

182-183°C

药理学性质

Dihydrofolate reductase inhibitor

Folate antagonist

Others

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

MP Biomedicals

02156712

Crystalline

Sigma Aldrich

46858

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

TRC

S699140

Antibacterial.

ChEBI

CHEBI:102516

A sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position.

描述信息

参考文献

PubChem文献

数据源提供

• Tolika, E. et al.: Curr. Pharm. Analysis 6, 198 (2010)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 1932; 2752

• Kracmar, J. et al., Pharmazie, 1975, 30, 447, (uv)

• Bhni, E. et al., Chemotherapia, 1969, 14, 195, (pharmacol)

• Edwards, D., J. Pharm. Pharmacol., 1971, 23, 956, (ir)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 210

• U.S. Pat., 1958, 2 833 761; CA, 52, 20216, (deriv)

• Turzcan, J. et al., J. Pharm. Sci., 1972, 61, 434, (pmr)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, AKO500

• Horie, T. et al., Chem. Pharm. Bull., 1962, 10, 580, (synth)

• Grechishkin, V.S. et al., J. Mol. Struct., 1982, 83, 345, (nqr, nmr)

• Bult, A., Pharm. Weekbl., Sci. Ed., 1983, 5, 77, (cmr)

• Basak, A.K. et al., Acta Cryst. C, 1987, 43, 735, (cryst struct)

• Kirk-Othmer Encycl. Chem. Technol., 4th edn., Wiley, 1991, 2, 876, (rev)

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide

IUPAC传统名

longin 4-amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide

别名

国际非专利药品(INN)

sulfamethoxypyridazinesulfametoxipiridazinasulfamethoxypyridazinum

数据登录号

EC号

CAS号

PubChem CID

PubChem SID

MDL号

Beilstein号

PubMed文献链接

13363378686472913615757134882782318334874869151352176311431418135599671358395013635077

IEDB Database

KEGG DRUG Database

CHEBI ID

Reaxys Registry

CHEMBL

MetaboLights数据库

专利号

BRENDA数据库

BRENDA Ligand数据库

Gmelin ID

BKMS React数据库

CompTox数据库

SureChEMBL数据库

LINCS数据库

ACToR数据库

Drug Central Database

描述信息

Crystalline

46858

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

TRC

S699140

Antibacterial.

ChEBI

CHEBI:102516

A sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position.

参考文献

PubChem文献

数据源提供

• Tolika, E. et al.: Curr. Pharm. Analysis 6, 198 (2010)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 1932; 2752

• Kracmar, J. et al., Pharmazie, 1975, 30, 447, (uv)

• Bhni, E. et al., Chemotherapia, 1969, 14, 195, (pharmacol)

• Edwards, D., J. Pharm. Pharmacol., 1971, 23, 956, (ir)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 210

• U.S. Pat., 1958, 2 833 761; CA, 52, 20216, (deriv)

• Turzcan, J. et al., J. Pharm. Sci., 1972, 61, 434, (pmr)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, AKO500

• Horie, T. et al., Chem. Pharm. Bull., 1962, 10, 580, (synth)

• Grechishkin, V.S. et al., J. Mol. Struct., 1982, 83, 345, (nqr, nmr)

• Bult, A., Pharm. Weekbl., Sci. Ed., 1983, 5, 77, (cmr)

• Basak, A.K. et al., Acta Cryst. C, 1987, 43, 735, (cryst struct)

• Kirk-Othmer Encycl. Chem. Technol., 4th edn., Wiley, 1991, 2, 876, (rev)

生物活性

PubChem BioAssay

化合物性质

产品相关信息

质检报告

下载链接

Empirical Formula (Hill Notation)

C11H12N4O3S

级别

VETRANAL™, analytical standard

应用领域

Long-acting sulfonamide used for treatment of systemic infections.

Antiseptic

Low acute toxicity

Free Base

理化性质

182-183°C

药理学性质

Dihydrofolate reductase inhibitor

Folate antagonist

Others

化合物信息

ID:104656