CAS 57-66-9 MFCD00038402-p-(Dipropylsulfamoyl)benzoic acid 对[(二丙氨基)磺酰基]苯甲酸 TAO{mole}

p-(Dipropylsulfamoyl)benzoic acid 对[(二丙氨基)磺酰基]苯甲酸

CAS 57-66-9 MFCD00038402

化学结构图

SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1

化学属性

Mol. Formula	C13H19NO4S
Mol. Weight	285.39
Density	1.422
Melting Point	198-200
TSCA	Yes
Solubility	Soluble in water (partly miscible), solutions of alkali hydroxides,, ethanol (100 mM), acetone, chloroform, sodium hydroxide (1 M), DMSO (100 mM), methanol, dilute acids (practically insoluble), dilute alkalies, and ether (slightly soluble).
Appearance	白色结晶性粉末。熔点194-196℃。溶于丙酮，略溶于乙醇或氯仿，几乎不溶于水。溶于稀氢氧化钠溶液，在稀酸中几乎不溶。无臭，味微苦。

别名和识别编码

Chemical Name	p-(Dipropylsulfamoyl)benzoic acid
CAS Number	57-66-9
Synonym	4-((dipropylamino)sulfonyl)-benzoicaci 4-(DI-N-PROPYLAMINO)SULFONYL BENZOIC ACID 4-(Di-n-propylaminosulfonyl)benzoic acid 4-(Dipropylamino 4-(Dipropylsulfamoyl)benzoic acid 4-(N,N-Dipropylaminosulfonyl)benzoic acid 4-(dipropylsulfam 4-(二丙基氨磺酰基)苯甲酸 4-[(DIPROPYLAMINO)SU 4-[(Dipropylamino)sulfonyl]benzoic acid 4-[(dipropylamino)sulfonyl]benzoic acid 4-dipropylsulfamoyl-benzoic acid 4-dipropylsulfamoylbenzoic acid 4[(Dipropylamino)sulfonyl]benzoic Acid p-(Dipropylsulfamoyl)benzoic acid p-(Dipropylsulfamyl)benzoic acid AKOS BBS-00002773 Apurina Benacen Benecid Benemi Benemid Benuryl Benzoic acid, 4-((dipropylamino)sulfonyl)- Benzoic acid, 4-[(dipro
EC Number	200-344-3
Beilstein Registry Number	2815775
MDL Number	MFCD00038402
Merck Number	14,7754
PubChem Substance ID	4911
Chemical Name Translation	对[(二丙氨基)磺酰基]苯甲酸
Wiswesser Line Notation	QVR DSWN3&3
LabNetwork Molecule ID	LN00196020
InChI	InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)

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分类

Pharmaceuticals
{SNA} Application Index, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules,
{SNA} Application Index, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Biochemicals and Reagents, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Drug Efflux Pumps, Drug Transport Compounds, Drug Transport Proteins & Reagents, Enzymes, Inhibitors, and Substrates, Inhibitors, Membrane Protein Biology Tools, Merck, Modulators for MRP Transporters, Multi-Drug Resistance, Multi-Drug Resistance and Drug Metabolism, P, Proteins and Derivatives, Xenobiotics and Drug Metabolism, 细胞生物学
{SNA} Application Index,

产品应用

An inhibitor of several ABC-transporters of the subfamily ABCC or MRP.

安全信息

Signal word

GHS Symbol

WGK Germany3

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P301+P312
P301+P317
P330 Rinse mouth. 漱口
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSDG9400000

Hazard statements

H302 Harmful if swallowed 吞食有害

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xn

UN Number 3249

Storage condition 储存温度-20°C

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 206 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-395,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1666 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,735,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 230 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CLDND* Compilation of LD50 Values of New Drugs.  (J.R. MacDougal, Dept. of
   National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa,
   Ont., Canad

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 458 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CLDND* Compilation of LD50 Values of New Drugs.  (J.R. MacDougal, Dept. of
   National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa,
   Ont., Canada)

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 50 mg/kg/1W-I
TOXIC EFFECTS :
   Blood - other hemolysis with or without anemia
REFERENCE :
   JRHUA9 Journal of Rheumatology.  (920 Yonge St., Suite 608, Toronto, Ont.,
   Canada)  V.1-    1974-  Volume(issue)/page/year: 13,208,1986

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 611 mg/kg
TOXIC EFFECTS :
   Details of toxic effects

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 5 mg/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-395,1991

其他信息

不良反应:1.消化道反应：主要表现为少数病人有食欲减退、恶心、呕吐、腹部不适等。 2.中枢神经反应及过敏反应：偶见头痛、面部潮红、发热和皮肤瘙痒、皮炎等过敏反应。 3.其他严重毒性反应：表现为极个别患者有出血、粒细胞减少、再障性贫血、肾病综合征、肝坏死等。丙磺舒属磺胺类药物，故对磺胺药过敏的患者禁用。孕妇、消化性溃疡、肝肾功能障碍患者要慎用。另外，服药时应大量饮水，并加服适量碳酸钠以防止产生尿结石。在服药期间应注意检查血象。
上游原料:重铬酸钠 --> 溴化钠 --> 正丙基溴 --> 对甲苯磺酰胺
用途二:抗痛风药。该品为有机酸，脂溶性强，自肾小管分泌排出，又很容易被回吸收。故在丙磺郐存在下，体内某些有机酸在肾小管的运转将受到抑制，减少其他有机酸的排泄。故用于治疗慢性痛风，安全有效。对急性痛风的疼痛和炎症无作用，不适用于急性痛风。
Acros Organ
MSDS 信息:4-[(Dipropylamino)sulfonyl]benzoic acid(57-66-9).msds
方法一:对甲苯磺酰胺经重铬酸钠氧化为对羧苯磺酰胺，再用溴丙烷进行烷基化反应，所得丙磺舒钠用乙酸酸化即得丙磺舒。
图谱信息:丙磺舒(57-66-9)红外图谱(IR1) 丙磺舒(57-66-9)红外图谱(IR2) 丙磺舒(57-66-9)质谱(MS)
Probenecid
用途一:用于治疗痛风、慢性风湿性关节炎等疾病
适应证:(1)高尿酸血症伴慢性痛风性关节炎及痛风石，成人每日2次，每次25 mg，1周后可增量至每日2次，每次500 mg。服药时每日摄入水分2500mL左右，防止形成肾结石，必要时同服碱化尿液药物。但必须:1,肾小球滤过滤大于50～60mL/min;2,无肾结石或肾结石史;3,非酸性尿;4,不服用水杨酸类药物者;5,定期检测血和尿pH值、肝肾功能及血和尿中尿酸水平;6,根据临床及尿酸水平调整药量，用最小有效量维持较长时间。 (2)作为抗生素治疗的辅助用药，与青霉素、氨苄西林、苯唑西林、邻氯西林、萘夫西林(nafcillin)等抗生素同用时，丙磺舒可抑制这些抗生素的排出，提高血药浓度并能维持较长时间。
Alfa Aesar:丙磺舒,98% Probenecid, 98%(57-66-9)
丙磺舒价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 SB00915EE 丙磺舒 4-[(dipropylamino)sulfonyl]benzoic acid 50 GR 1275元 2010/06/21 SB00915EA 丙磺舒 4-[(dipropylamino)sulfonyl]benzoic acid 10 GR 405元 2010/06/21 SB00915EB 丙磺舒 4-[(dipropylamino)sulfonyl]benzoic acid 25 GR 795元
Probenecid 是一种经典的有机阴离子运输竞争性抑制剂,同时也是一种瞬时感受器电位香草素受体亚家族2(TRPV2)的激动剂和人苦味觉感受器TAS2R16的抑制剂。
Sigma Aldrich:57-66-9(sigmaaldrich)
抗痛风药:丙磺舒是一种化学合成的磺胺类抗痛风药，又叫羟苯磺胺，有促进尿酸排泄和抑制青霉素排泄的双重作用，临床上用于慢性痛风及抑制青霉素类药物的排泄以提高其血浆浓度，作为青霉素类治疗的辅助药。其作用机理为抑制肾小管对尿酸的重吸收，增加尿酸排泄，从而降低血浆中的尿酸浓度，以减少尿酸盐在组织中沉积，防止尿酸盐结晶的生成。本品亦可促进已形成的尿酸盐的溶解，从而减少关节的损伤。另外，本品还可以竞争性抑制弱有机酸(如青霉素、头孢菌素)在肾小管的分泌，从而可以增加这些抗生素的血浓度和延长它们的作用时间。本品口服易吸收，血浆蛋白结合率高达85%～90%。成人每次口服1g，2～4小时血药浓度即达峰值，半衰期为6～12小时。丙磺舒在肝内迅速代谢，主要代谢产物为丙磺舒乙酰葡萄醛酸。代谢物主要从尿中排泄。本品无抗炎镇痛作用，故对急性痛风无效。急性毒性试验结果：大鼠经口LD50为1600mg/kg。服后不良反应主要是胃肠
MOL 文件:57-66-9.mol