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二溴海因

二溴海因用途

【用途一】
杀菌消毒剂
【用途二】
用作工业溴化剂和消毒杀菌剂
【用途三】
有机合成中间体

二溴海因名称

[ CAS 号 ]:
77-48-5

[ 中文名 ]:
1,3-二溴-5,5-二甲基海因

[ 英文名 ]:
1,3-Dibromo-5,5-dimethylhydantoin

[中文别名 ]:

[英文别名 ]:

N,N'-dibromo-5,5-dimethyl hydantoin
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-
DIBROMANTIN
3-DibroMo-5
DDH
1,3-dibromo-5,5-dimethyl-hydantoin
1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione
1,3-Dibromo-5,5-dimethyl hydantoin
EINECS 201-030-9

二溴海因生物活性

[ 描述 ]:

1,3-Dibromo-5,5-dimethylhydantoin 是一种 PROTAC linker,属于 alkyl chain 类。可用于合成 PROTAC 分子。

[ 相关类别 ]:

研究领域 >> 癌症

信号通路 >> 蛋白裂解靶向嵌合体 >> PROTAC Linker

[ 靶点 ]

Alkyl-Chain

[体外研究]

PROTACs包含两种不同的配体,它们通过连接体连接；一种是E3泛素连接酶的配体,另一种是靶蛋白的配体。PROTACs利用细胞内泛素-蛋白酶体系统选择性降解靶蛋白[1]。

[参考文献]

[1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562.

二溴海因物理化学性质

[ 密度 ]:
2.2±0.1 g/cm3

[ 沸点 ]:
250.2±23.0 °C at 760 mmHg

[ 熔点 ]:
197-199 °C (dec.)(lit.)

[ 分子式 ]:
C₅H₆Br₂N₂O₂

[ 分子量 ]:
285.921

[ 闪点 ]:
105.1±22.6 °C

[ 精确质量 ]:
283.879578

[ PSA ]:
40.62000

[ LogP ]:
1.68

[ 外观性状 ]:
白色粉末

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.622

[ 储存条件 ]:
库房低温,通风,干燥,与食品原料分开存放

二溴海因MSDS

二溴海因毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MU0686000

CHEMICAL NAME :: Hydantoin, 1,3-dibromo-5,5-dimethyl-

CAS REGISTRY NUMBER :: 77-48-5

BEILSTEIN REFERENCE NO. :: 0146024

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C5-H6-Br2-N2-O2

MOLECULAR WEIGHT :: 285.95

WISWESSER LINE NOTATION :: T5NVNV EHJ AE CE E1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(10),108,1971

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 29 gm/m3/1H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0281-0382

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 gm/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0581-0382 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 52 mg/kg/17W-I

TOXIC EFFECTS :: Endocrine - evidence of thyroid hypofunction

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(10),108,1971 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83854 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 124 (estimated)

二溴海因安全信息

[ 符号 ]:

GHS03, GHS05, GHS06, GHS09

[ 信号词 ]:
Danger

[ 危害声明 ]:
H272-H301-H314-H317-H410

[ 警示性声明 ]:
Missing Phrase - N15.00950417-P210-P220-P280-P305 + P351 + P338-P370 + P378

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ 危害码 (欧洲) ]:
C:Corrosive

[ 风险声明 (欧洲) ]:
R22;R34;R50;R8

[ 安全声明 (欧洲) ]:
S17-S26-S36/37/39-S45-S60-S61

[ 危险品运输编码 ]:
UN 3087 5.1/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
MU0686000

[ 包装等级 ]:
II

[ 危险类别 ]:
5.1

[ 海关编码 ]:
29332100

二溴海因合成路线

二溴海因上下游产品

二溴海因上游产品

二溴海因下游产品

二溴海因制备

由5,5-二甲基乙内酰脲经溴化而得。将5,5-二甲基乙内酰脲、碳酸钠、氢氧化钠、水混合，在冷却下慢慢加入溴，加完后倒入水中，放置后过滤出的结晶即为粗品。再将粗品溶于丙酮脱色过滤，滤液倒入水中得白色结晶，即为成品。

二溴海因海关

[ 海关编码 ]: 2933990090

[ 中文概述 ]:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

二溴海因文献

Determination of selenium sulfide using 1,3-dibromo-5,5-dimethylhydantoin (DBH). Analytical methods of pharmacopeias with DBH in respect to environmental and economical concern Part 11.

J. Pharm. Biomed. Anal. 28(2) , 337-43, (2002)

USP 2000 (The United States Pharmacopeia, Rockville, MD, 24th ed., 2000, pp. 1514-1515) and PH. EUR. 1997 (European Pharmacopoeia, 3rd ed., Council of Europe, Strasbourg, 1997, p. 1459) dissolve selen...

Titrimetric determination of acetylenic hyponotics using organic brominating agents.

Pharm. Weekbl. Sci. 10(2) , 90-2, (1988)

A titrimetric method is described for the determination of three acetylenic hypnotics, namely ethchlorvynol, ethinamate, and methylpentynol carbamate, in bulk and in dosage forms. The method involves ...

Determination of iron limiting values according to PH. EUR. using 1,3-dibromo-5,5-dimethylhydantoin (DBH) instead of elemental bromine. Analytical methods of pharmacopoeias with DBH in respect to environmental and economical concern. Part 8.

Pharmazie 57(1) , 45-8, (2002)

PH. EUR. 2002 uses elemental bromine performing iron limit tests for maleic acid (iron 5 ppm) and titanium dioxide (iron 200 ppm). 1,3-Dibromo-5,5-dimethylhydantoin (DBH) can replace bromine water. Fo...

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