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80-08-0 分子结构
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4-(4-aminobenzenesulfonyl)aniline

ChemBase编号:135
分子式:C12H12N2O2S
平均质量:248.30088
单一同位素质量:248.06194863
SMILES和InChIs

SMILES:
S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1
Canonical SMILES:
Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N
InChI:
InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKey:
MQJKPEGWNLWLTK-UHFFFAOYSA-N

引用这个纪录

CBID:135 http://www.chembase.cn/molecule-135.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
4-(4-aminobenzenesulfonyl)aniline
IUPAC传统名
4-(4-aminobenzenesulfonyl)aniline
dapsone
商标名
Araldite Ht
Avlosulfon
Avlosulfone
Avlosulphone
Croysulfone
Croysulphone
Dimitone
Diphone
Dubronax
Dumitone
Eporal
ICI
Normet
Novophone
Recolip
Sulfadione
Sulfanona-Mae
Sulfon-Mere
Sulfona
Sulfona-Mae
Sulfone Ucb
Sulphon-Mere
Sumicure S
Tarimyl
Udolac
Aczone
别名
4,4'-二氨基二苯砜
4,4′-磺酰基二苯胺
双(4-氨基苯基)砜
氨苯砜
4-氨基苯砜
4-氨基苯砜
4,4'-二氨基二苯砜
氨苯砜
P, P'-Sulfonyldianiline
P-Aminophenyl Sulfone
P,P-Sulphonyldianiline
P,P-Sulphonylbisbenzenamine
P,P-Sulphonylbisbenzamine
P,P-Sulfonylbisbenzenamine
P,P-Sulfonylbisbenzamine
P,P-Diaminodiphenyl Sulphone
P,P'-Diaminodiphenyl Sulfone
N, N'-Diphenyl Sulfondiamide
Metabolite C
Sulfonyldianiline
Sulphadione
Sulphonyldianiline
Diphenasone
Diaphenylsulphone
Diaphenylsulphon
Diaphenylsulfone
Diaphenylsulfon
Diaminodiphenyl Sulfone
Diaminodifenilsulfona
Dds, Pharmaceutical
Dds, Diaphenylsulfone
DDS
Dapsonum
Dapson
DADPS
Acedapsone
Diamino-diphenyl sulphone
DSS
dapsone
Dapsone
4-[(4-Aminophenyl)sulfonyl]aniline
4,4′-Diaminodiphenyl sulfone
4,4′-Sulfonyldianiline
Bis(4-aminophenyl) sulfone
4-Aminophenyl sulfone
4-Aminophenyl sulfone
DADPS, DDS, Avlosulfon, Croysulfone, Diphenasone, Disulone, Dumitone, Eporal, Novophone, Sulfona-Mae, Sulphadione, 4,4’-Sulfonylbisbenzeneamine
1,1'-Sulfonylbis[4-aminobenzene]
4,4'-Diaminodiphenyl Sulfone
4,4'-Diaminodiphenyl sulfone
bis(4-AMINOPHENYL)SULFONE
NSC 6091
Dapson
CAS号
80-08-0
EC号
201-248-4
MDL号
MFCD00007887
Beilstein号
788055
默克索引号
142822
PubChem SID
24869870
24859802
46505300
160963598
24891242
PubChem CID
2955
CHEBI ID
4325
ATC码
J04BA02
D10AX05
CHEMBL
1043
Chemspider ID
2849
DrugBank ID
DB00250
KEGG ID
D00592
美国药典/FDA物质标识码
8W5C518302
维基百科标题
Dapsone
Medline Plus
a682128

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 1.2698921  LogD (pH = 7.4) 1.2702243 
Log P 1.2702285  摩尔折射率 68.991 cm3
极化性 26.662663 Å3 极化表面积 86.18 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 1.19  LOG S -2.94 
溶解度 2.84e-01 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
380 mg/L expand 查看数据来源
Acetone expand 查看数据来源
DMSO expand 查看数据来源
Ethanol expand 查看数据来源
Methanol expand 查看数据来源
外观
Off -White Solid expand 查看数据来源
熔点
172-174°C expand 查看数据来源
175°C expand 查看数据来源
175-177 °C(lit.) expand 查看数据来源
175-178°C expand 查看数据来源
175-179 °C expand 查看数据来源
疏水性(logP)
0.4 expand 查看数据来源
保存条件
-20°C Freezer expand 查看数据来源
保存注意事项
IRRITANT expand 查看数据来源
RTECS编号
BY8925000 expand 查看数据来源
欧盟危险性物质标志
X expand 查看数据来源
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
1 expand 查看数据来源
危险公开号
22 expand 查看数据来源
R:22 expand 查看数据来源
安全公开号
22 expand 查看数据来源
S:22 expand 查看数据来源
TSCA收录
false expand 查看数据来源
expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302 expand 查看数据来源
GHS警示性声明
P261 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
给药途径
Oral expand 查看数据来源
生物利用度
70 to 80% expand 查看数据来源
排泄
Renal expand 查看数据来源
半衰期
20 to 30 hours expand 查看数据来源
代谢
Hepatic (mostly CYP2E1-mediated) expand 查看数据来源
蛋白结合率
70 to 90% expand 查看数据来源
法定药品分级
?-only (U.S.), POM (UK) expand 查看数据来源
妊娠期药物分类
B2 (Australia) expand 查看数据来源
C (US) expand 查看数据来源
纯度
≥97.0% (NT) expand 查看数据来源
97% expand 查看数据来源
98% expand 查看数据来源
级别
purum expand 查看数据来源
VETRANAL™, analytical standard expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
线性分子式
(H2NC6H4)2SO2 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Sigma Aldrich Sigma Aldrich TRC TRC MP Biomedicals MP Biomedicals Wikipedia Wikipedia
DrugBank -  DB00250 external link
Item Information
Drug Groups approved; investigational
Description A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine in the treatment of malaria. (From Martindale, The Extra Pharmacopoeia, 30th ed, p157-8)
Indication For the treatment and management of leprosy and dermatitis herpetiformis.
Pharmacology Dapsone is a sulfone with anti-inflammatory immunosuppressive properties as well as antibacterial and antibiotic properties. Dapsone is the principal drug in a multidrug regimen recommended by the World Health Organization for the treatment of leprosy. As an anti-infective agent, it is also used for treating malaria and, recently, for Pneumocystic carinii pneumonia in AIDS patients. Dapsone is absorbed rapidly and nearly completely from the gastrointestinal tract. Dapsone is distributed throughout total body water and is present in all tissues. However, it tends to be retained in skin and muscle and especially in the liver and kidney: traces of the drug are present in these organs up to 3 weeks after therapy cessation.
Toxicity Overdosage might be expected to produce nasal congestion, syncope, or hallucinations. Measures to support blood pressure should be taken if necessary.
Affected Organisms
Mycobacteria
Biotransformation Hepatic, mostly CYP2E1-mediated.
Absorption Bioavailability is 70 to 80% following oral administration.
Half Life 28 hours (range 10-50 hours)
Protein Binding 70 to 90%
Elimination Renal
External Links
Wikipedia
RxList
Drugs.com
Sigma Aldrich -  46158 external link
法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC
Sigma Aldrich -  A74807 external link
包装
100, 500 g in poly bottle
Toronto Research Chemicals -  D193250 external link
An antibacterial used in the treatment of dermatitis herpetiformis.
MP Biomedicals -  05212644 external link
MP Biomedicals Rare Chemical collection

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Francis, J., et al.: Br. J. Pharmacol., 5, 565 (1950)
  • Uetrecht, J., et al.: Clin. Dermatol., 7, 111 (1950)
  • Reszka, K., et al.: Chem. Res. Toxicol., 22, 1137 (1950)
  • Santos, J., et al.: Bioorg. Med. Chem., 17, 3795 (1950)
  • Varma, M., et al.: J. Med. Chem
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专利

专利

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