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巯基苯并噻唑钠 | 2492-26-4

中文名称
巯基苯并噻唑钠
中文别名
铜材缓蚀剂MBT-NA(巯基苯骈噻唑钠盐);苯并噻唑-2-巯基钠;2-硫醇基苯并噻唑钠盐;2-巯基苯并噻唑钠;巯基苯骈噻唑钠;2-硫醇基苯并噻唑钠;苯并噻唑-2-基硫化钠
英文名称
Sodium mercaptobenzothiazole
英文别名
——
巯基苯并噻唑钠化学式
CAS
2492-26-4
化学式
C7H5NNaS2
mdl
——
分子量
190.2
InChiKey
KRXFTOUYGXMRRU-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    -6 °C
  • 沸点:
    103 °C
  • 密度:
    1,255 g/cm3
  • 物理描述:
    Sodium 2-mercaptobenzothiazol solution appears as an amber liquid with an odor of old rubber. A 50% aqueous solution. Denser than water. (USCG, 1999)
  • 颜色/状态:
    LIGHT-AMBER LIQUID /50% AQUEOUS SOLN/
  • 闪点:
    greater than 200 °F (NTP, 1992)
  • 溶解度:
    greater than or equal to 100 mg/mL at 68° F (NTP, 1992)
  • 蒸汽压力:
    24 mm Hg at 77 °F (NTP, 1992)
  • 粘度:
    Sodium mercaptobenzothiazole in motor oil soln maintains a uniform viscosity over a large temp range.
  • 腐蚀性:
    Not corrosive to metals as a 50% aq soln.

计算性质

  • 辛醇/水分配系数(LogP):
    2.58
  • 重原子数:
    11
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    69.4
  • 氢给体数:
    1
  • 氢受体数:
    2

ADMET

代谢
...老鼠...通过腹腔注射给予了35S-巯基标记的2-巯基苯并噻唑。分析尿液中的代谢物表明,巯基苯并噻唑谷胱甘肽以及葡萄糖醛酸发生了共轭反应。尿液中还检出了放射性标记的无机硫酸盐。/巯基苯并噻唑/
...Rats... were dosed ip with 35S-mercapto-labelled 2-mercaptobenzothiazole. Analysis of urinary metabolites indicated that mercaptobenzothiazole underwent conjugation with glutathione and with glucuronic acid. Radiolabelled inorg sulfate was also identified in urine. /Mercaptobenzothiazole/
来源:Hazardous Substances Data Bank (HSDB)
代谢
在1mM的体外浓度下,巯基苯并噻唑对艾氏腹瘤细胞的己糖单磷酸途径产生缓慢抑制,并对三羧酸循环产生中等程度的刺激。
At an in vitro concn of 1mM mercaptobenzothiazole caused a slow inhibition of the hexose monophosphate pathway and a moderate stimulation of the tricarboxylic acid cycle of Ehrlich ascites tumor cells./Mercaptobenzothiazole/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
NACAP在人类贴片测试中引起了疱和红斑病变...
NACAP CAUSED VESICULATIONS AND ERYTHEMATOUS LESIONS IN HUMAN PATCH TESTS...
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
口服给予两种杂交小鼠每天100毫克/千克的巯基苯并噻唑,使用0.5%的明胶作为载体,在18个月的治疗后未能引起肿瘤的显著增加。/巯基苯并噻唑/
Daily oral admin to two hybrid strains of mice of 100 mg/kg of mercaptobenzothiazole in 0.5% gelatin failed to cause a significant increase in tumors after 18 months of treatment. /Mercaptobenzothiazole/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
5小时后,兔子注射了100毫克/千克的巯基苯并噻唑,观察到血糖下降。
A drop in blood glucose in rabbits 5 hr after ip injection of mercaptobenzothiazole at a dose of 100 mg/kg was observed.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
雄性小鼠每天腹腔注射给予苯并噻唑一周,剂量分别为LD50的四分之一和八分之一(分别为110毫克/千克和55毫克/千克),一周后没有出现明显的毒性迹象。然而,对各种组织的显微镜检查显示,接受110毫克/千克剂量的小鼠肝脏受到严重损害。接受55毫克/千克剂量的小鼠的组织没有进行显微镜检查。/苯并噻唑/
Male mice treated daily for one week with ip injections of mercaptobenzothiazole at one-fourth and one-eight the LD50 (110 and 55 mg/kg, respectively) showed no signs of overt toxicity after one week. Microscopic exam of various tissues, however, revealed serious damage to liver of mice receiving the 110 mg/kg dose. Tissues from mice receiving the 55 mg/kg dose were not examined microscopically. /Mercaptobenzothiazole/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 生态毒性值
LC50 萨尔摩加尔迪尼(虹鳟鱼)2.0(1.6-2.4)毫克/升 24小时
LC50 Salmo gairdneri (Rainbow trout) 2.0 (1.6-2.4) mg/l 24-hr
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
溶液中巯基苯并噻唑的经皮吸收在豚鼠身上进行了研究。[14C]-标记的巯基苯并噻唑(约11毫克/千克体重)涂抹在实验动物的剃毛皮肤上... 在长达48小时内监测组织和排泄物中的放射性。在48小时时,观察到以下放射性分布(占应用剂量的百分比)在完整(磨砂)皮肤上涂抹后:血液:0.08(0.17);内脏器官:0.02(0.05);胃肠道内容物:0.02(0.03);粪便:0.46(1.92);尿液:8.39(34.58);涂抹部位皮肤:12.13(7.29);覆盖物和洗涤物:60.97(39.10)/来自表格/。通过尿液中放射性测量,观察到最大吸收率出现在涂抹后3到6小时。
The percutaneous absorption of mercaptobenzothiazole in aqueous soln was studied in guinea pigs. [14C]-labeled mercaptobenzothiazole (about 11 mg/kg body weight) was applied to the shaved skin of the test animals ... Radioactivity in the tissues and excreta was monitored for up to 48 hr. At 48 hr the following distribution of radioactivity (percent of applied dose) was observed following application to intact (abraded) skin: blood: 0.08 (0.17); internal organs: 0.02 (0.05); GI contents: 0.02 (0.03); feces: 0.46 (1.92); urine: 8.39 (34.58); skin (at application site): 12.13 (7.29); coverings and washings: 60.97 (39.10) /from table/. Max rate of absorption was observed at 3 to 6 hours after application as measured by radioactivity in the urine.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
本实验研究了苯并噻唑在豚鼠体内的分布和排泄。豚鼠通过皮下注射含有[14C]标记的苯并噻唑溶液(5 mg/kg)。注射后15分钟,组织中放射性活性的最大值出现,此后放射性活性随时间迅速下降。在注射后1小时,肾脏、肝脏和甲状腺中的放射性活性最高。在48小时后,甲状腺中的放射性活性最高。该化合物的排泄似乎很快。在给药后6小时,92.6%的给药剂量已通过尿液回收。
The tissue distribution and excretion of mercaptobenzothiazole was studied in guinea pigs injected sc with [14C]-labeled aqueous soln of mercaptobenzothiazole (5 mg/kg). Max values of radioactivity were observed in tissues at 15 min after injection, and thereafter the radioactivity decr rapidly with time. At 1 hr afr dosing highest values of radioactivity were observed in kidney, liver, and thyroid. At 48 hr the highest values were observed in the thyroid. Excretion of the cmpd appeared to be rapid. At 6 hr after dosing 92.6% of the applied dose had been recovered in urine.
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 危险等级:
    8
  • 危险类别码:
    R34
  • 危险品运输编号:
    1760
  • RTECS号:
    DL6725000
  • 海关编码:
    2934999090
  • 包装等级:
    III
  • 危险类别:
    8
  • 安全说明:
    S26,S36/37/39
  • 危险性防范说明:
    P280,P303+P361+P353,P304+P340,P305+P351+P338,P310
  • 危险性描述:
    H290,H314,H335

SDS

SDS:1ecc6c3fe1ef554510fbba898368b1ae
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制备方法与用途

用途: 在天然胶中用作二氨基甲酸盐的助促进剂。也可将醇类调制成溶液,用于保护钢制品免受腐蚀。

反应信息

  • 作为反应物:
    描述:
    sodium hydroxide 、 4-Methylpiperidinium sulfate 、 、 巯基苯并噻唑钠 作用下, 以 为溶剂, 反应 0.33h, 生成 2-((4-methylpiperidin-1-yl)thio)benzo[d]thiazole
    参考文献:
    名称:
    Aqueous preparation of sulfenamides
    摘要:
    本发明涉及一种改进的工艺,用水溶液中的氯胺和巯基噻唑的碱金属盐制备噻唑磺酰胺。氯胺混合物可由胺或水溶胺盐溶液制备。
    公开号:
    US03947459A1
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文献信息

  • BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
    申请人:SENOMYX, INC.
    公开号:US20160376263A1
    公开(公告)日:2016-12-29
    The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.
    本发明涵盖已知用于改变苦味感知的化合物和组合物,以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种:冷却剂;无活性药物成分;活性药用成分;食品添加剂或食品;调味剂或调味增强剂;食品或饮料产品;苦味化合物;甜味剂;苦味剂;酸味调味剂;咸味调味剂;鲜味调味剂;植物或动物产品;已知用于宠物护理产品中的化合物;已知用于个人护理产品中的化合物;已知用于家用产品中的化合物;制药制剂;局部制剂;大麻衍生或与大麻相关的产品;已知用于口腔护理产品中的化合物;饮料;香味、香或除臭剂;已知用于消费品中的化合物;化合物;磨料;表面活性剂;发热剂;吸烟物品;脂肪、油脂或乳化剂;和/或益生菌或补充剂。
  • 3-(Fluorovinyl)pyrazoles and their use
    申请人:HÄRTER Michael
    公开号:US20130150325A1
    公开(公告)日:2013-06-13
    The present application relates to novel 3-(fluorovinyl)pyrazole derivatives, to processes for their preparation, to their use for treatment and/or prevention of diseases and to their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.
    本申请涉及新颖的3-(乙烯基)吡唑生物,涉及它们的制备方法,涉及它们用于治疗和/或预防疾病的使用,以及用于制备用于治疗和/或预防疾病的药物,特别是用于治疗和/或预防增殖性和血管生成性疾病以及那些由于对缺状态的代谢适应而产生的疾病。此类治疗可以作为单一疗法进行,也可以与其他药物或进一步的治疗措施相结合进行。
  • Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone
    申请人:Bridges Alexander James
    公开号:US20080171728A1
    公开(公告)日:2008-07-17
    Disclosed herein are methods for preparing steroids and Vitamin D derivatives having the unnatural beta (usually S) configuration at C20, the methods comprising the use of compounds of the formula: wherein R is as defined herein. Also disclosed are steroids and Vitamin D derivatives made using the methods disclosed herein and pharmaceutical compositions comprising said steroids and Vitamin D derivatives.
    本文披露了一种制备具有不寻常的β(通常为S)构型的C20处的类固醇维生素D衍生物的方法,该方法包括使用以下式的化合物:其中R如本文所定义。还披露了使用本文披露的方法制备的类固醇维生素D衍生物,以及包含该类固醇维生素D衍生物的药物组合物。
  • COMPOUNDS USEFUL AS MODULATORS OF TRPM8
    申请人:Senomyx, Inc.
    公开号:US20170096418A1
    公开(公告)日:2017-04-06
    The present disclosure relates to compounds which are useful as cooling sensation compounds.
    本公开涉及作为冷感化合物有用的化合物。
  • Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives
    申请人:Rowland G. Robert
    公开号:US20050037931A1
    公开(公告)日:2005-02-17
    A composition is disclosed that comprises: (A) a lubricant, and (B) at least one compound selected from the group consisting of alcohols of the formulae: wherein Y is N, O, or S; R 1 , R 2 , R 3 , and R 4 are independently selected from the group consisting of hydrogen, alkyl, cycloalkyl, alkenyl, alkaryl, aryl, alkoxy, and alkyl ester; R 5 is selected from the group consisting of hydrogen, alkyl, alkoxy, a carboxy alkyl group of the structure: (CH 2 ) p CO 2 R 9 where: p is from 1 to 18, and R 9 is hydrocarbyl; R 7 is selected from the group consisting of hydrogen, CH 2 OR 11 , alkyl, and alkenyl, wherein: said alkyl and alkenyl groups are optionally substituted with OH, oxirane, or X; R 11 is selected from the group consisting of alkyl of from 1 to 36 carbon atoms, alkaryl of from 6 to about 50 carbon atoms, and aryl, and may contain ether or ester functionalities; X is of the structure: or R 5 and R 7 are fused together to form a ring of 3-10, preferably 5 or 6, carbon atoms, which may be further substituted with alkyl, cycloalkyl, alkenyl, aryl, or alkoxy groups, and may contain ether or ester functionalities, and R 6 and R 8 are independently selected from the group consisting of hydrogen, alkyl, cycloalkyl, alkenyl, aryl, and alkoxy.
    揭示了一种包括:(A)润滑剂和(B)选自以下羟基化合物组合的至少一种化合物的组成物:其中Y为N、O或S;R1、R2、R3和R4独立地选自、烷基、环烷基、烃基、烷基芳基、芳基、烷基和烷基基组合的群;R5选自、烷基、烷基、结构为(CH2)pCO2R9的羧基烷基组(其中:p为1至18,R9为烃基);R7选自、 OR11、烷基和烃基,其中:所述烷基和烃基可以选择性地用OH、环氧乙烷或X取代;R11选自由1至36个原子的烷基、由6至约50个原子的烷基芳基和芳基组成的组合,并且可能含有醚或官能团;X的结构为:或R5和R7被融合在一起形成由3-10个、优选5或6个原子的环,该环可能进一步用烷基、环烷基、烃基、芳基或烷基取代,并且可能含有醚或官能团,R6和R8独立地选自、烷基、环烷基、烃基、芳基和烷基组合的群。
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同类化合物

(1Z)-1-(3-乙基-5-羟基-2(3H)-苯并噻唑基)-2-丙酮 齐拉西酮砜 齐帕西酮-d8 阳离子蓝NBLH 阳离子荧光黄4GL 锂2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 铜酸盐(4-),[2-[2-[[2-[3-[[4-氯-6-[乙基[4-[[2-(硫代氧代)乙基]磺酰]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-2-(羟基-kO)-5-硫代苯基]二氮烯基-kN2]苯基甲基]二氮烯基-kN1]-4-硫代苯酸根(6-)-kO]-,(1:4)氢,(SP-4-3)- 铜羟基氟化物 钾2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 钠3-(2-{(Z)-[3-(3-磺酸丙基)-1,3-苯并噻唑-2(3H)-亚基]甲基}[1]苯并噻吩并[2,3-d][1,3]噻唑-3-鎓-3-基)-1-丙烷磺酸酯 邻氯苯骈噻唑酮 西贝奈迪 螺[3H-1,3-苯并噻唑-2,1'-环戊烷] 螺[3H-1,3-苯并噻唑-2,1'-环己烷] 葡萄属英A 草酸;N-[1-[4-(2-苯基乙基)哌嗪-1-基]丙-2-基]-2-丙-2-基氧基-1,3-苯并噻唑-6-胺 苯酰胺,N-2-苯并噻唑基-4-(苯基甲氧基)- 苯酚,3-[[2-(三苯代甲基)-2H-四唑-5-基]甲基]- 苯胺,N-(3-苯基-2(3H)-苯并噻唑亚基)- 苯碳杂氧杂脒,N-1,2-苯并异噻唑-3-基- 苯甲酸,4-(6-辛基-2-苯并噻唑基)- 苯甲基2-甲基哌啶-1,2-二羧酸酯 苯并噻唑正离子,2-[3-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)-1-丙烯-1-基]-3-乙基-,碘化(1:1) 苯并噻唑正离子,2-[2-[4-(二甲氨基)苯基]乙烯基]-3-乙基-6-甲基-,碘化 苯并噻唑正离子,2-[(2-乙氧基-2-羰基乙基)硫代]-3-甲基-,溴化 苯并噻唑啉 苯并噻唑三氯金(III) 苯并噻唑-d4 苯并噻唑-7-乙酸 苯并噻唑-6-腈 苯并噻唑-5-羧酸 苯并噻唑-5-硼酸频哪醇酯 苯并噻唑-4-醛 苯并噻唑-4-乙酸 苯并噻唑-2-磺酸钠 苯并噻唑-2-磺酸 苯并噻唑-2-磺酰氟 苯并噻唑-2-甲醛 苯并噻唑-2-甲酸 苯并噻唑-2-甲基甲胺 苯并噻唑-2-基磺酰氯 苯并噻唑-2-基甲基-乙基-胺 苯并噻唑-2-基叠氮化物 苯并噻唑-2-基-邻甲苯-胺 苯并噻唑-2-基-己基-胺 苯并噻唑-2-基-(4-氯-苯基)-胺 苯并噻唑-2-基-(4-氟-苯基)-胺 苯并噻唑-2-基-(4-乙氧基-苯基)-胺 苯并噻唑-2-基-(2-甲氧基-苯基)-胺 苯并噻唑-2-基-(2,6-二甲基-苯基)-胺