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1113-59-3

1113-59-3 structure
1113-59-3 structure
  • Name: 3-Bromopyruvic acid
  • Chemical Name: Bromopyruvic acid
  • CAS Number: 1113-59-3
  • Molecular Formula: C3H3BrO3
  • Molecular Weight: 166.958
  • Catalog: Chemical reagent Organic reagent fatty acid
  • Create Date: 2018-08-19 18:50:16
  • Modify Date: 2024-01-03 03:09:58
  • 3-Bromopyruvic acid is a hexokinase II inhibitor, is an effective antitumor agent on the hepatoma cells.Target: hexokinase II in vitro: 3-BrPA dissociates HK II from this complex, causing cell death, and thus, having an anti-tumor effect. In vitro treatment of cells with 3-BrPA significantly inhibited their growth, as evaluated by MTT assay and adenosine triphosphate-tumor chemosensitivity assay (ATP-TCA). [1] 3-Bromopyruvic acid (3-BP) is a glycolytic inhibitor and a promising anticancer compound, induces oxidative stress and depletes cells of glutathione (GSH). [2]in vivo: 3-BrPA treatment (50 mg/kg ip. daily, 6 days/week for three weeks) is effective in the animal model by attenuating tumor growth and causing tumor necrosis. Toxic signs were not observed. The acute toxicity study provided an LD50 of 191.7 mg/kg for 3-BrPA. [1]
Name Bromopyruvic acid
Synonyms Propanoic acid, 3-bromo-2-oxo-
3-Bromo-2-oxopropanoic acid
3-BROMOPYRUVIC ACID HYDRATE
EINECS 214-206-5
3-Bromo-2-oxopropionic Acid
3-BROMOPYRUVICACID(3-BROMOPYRUVATE)
3-BROMO-2-OXOPROPANOICACID
3-BromopYHuvic acid
3-Bromopyruvicacid
BROMOPYRUVIC ACID/3-BROMO-2-OXOPROPIONIC ACID
BROMOPYRUVICACID
MFCD00002587
PROPANOIC ACID,3-BROMO-2-OXO-
3-Bromopyruvic acid
3-BROMO-2-OXO-PROPIONIC ACID
Description 3-Bromopyruvic acid is a hexokinase II inhibitor, is an effective antitumor agent on the hepatoma cells.Target: hexokinase II in vitro: 3-BrPA dissociates HK II from this complex, causing cell death, and thus, having an anti-tumor effect. In vitro treatment of cells with 3-BrPA significantly inhibited their growth, as evaluated by MTT assay and adenosine triphosphate-tumor chemosensitivity assay (ATP-TCA). [1] 3-Bromopyruvic acid (3-BP) is a glycolytic inhibitor and a promising anticancer compound, induces oxidative stress and depletes cells of glutathione (GSH). [2]in vivo: 3-BrPA treatment (50 mg/kg ip. daily, 6 days/week for three weeks) is effective in the animal model by attenuating tumor growth and causing tumor necrosis. Toxic signs were not observed. The acute toxicity study provided an LD50 of 191.7 mg/kg for 3-BrPA. [1]
Related Catalog
References

[1]. Gong L, et al. 3-Bromopyruvic acid, a hexokinase II inhibitor, is an effective antitumor agent on the hepatoma cells : in vitro and in vivo findings. Anticancer Agents Med Chem. 2014 Jun;14(5):771-6.

[2]. Sadowska-Bartosz I, et al. Anticancer agent 3-bromopyruvic acid forms a conjugate with glutathione. Pharmacol Rep. 2016 Apr;68(2):502-5.
Density 2.0±0.1 g/cm3
Boiling Point 223.4±23.0 °C at 760 mmHg
Melting Point 77-82 °C
Molecular Formula C3H3BrO3
Molecular Weight 166.958
Flash Point 88.9±22.6 °C
Exact Mass 165.926544
PSA 54.37000
LogP -0.54
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.521

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UZ0840000
CHEMICAL NAME :
Pyruvic acid, bromo-
CAS REGISTRY NUMBER :
1113-59-3
BEILSTEIN REFERENCE NO. :
1746786
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C3-H3-Br-O3
MOLECULAR WEIGHT :
166.97
WISWESSER LINE NOTATION :
QVV1E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
72 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 123,48,1958
Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment 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
Hazard Codes C:Corrosive;
Risk Phrases R20/21/22;R34
Safety Phrases S26-S36/37/39-S45-S27
RIDADR UN 3261 8/PG 2
WGK Germany 3
RTECS UZ0840000
Packaging Group II
Hazard Class 8
127-17-3 structure

127-17-3

~89%

1113-59-3 structure

1113-59-3
Literature: Journal of Organic Chemistry, , vol. 47, # 19 p. 3765 - 3766
113-24-6 structure

113-24-6

~%

1113-59-3 structure

1113-59-3
Literature: International Journal of Chemical Kinetics, , vol. 32, # 7 p. 408 - 418
14214-10-9 structure

14214-10-9

~%

1113-59-3 structure

1113-59-3

70-23-5 structure

70-23-5
Literature: Collection of Czechoslovak Chemical Communications, , vol. 23, p. 467,472
123-54-6 structure

123-54-6

~%

1113-59-3 structure

1113-59-3

600-35-1 structure

600-35-1
858451-26-0 structure

858451-26-0
Detail
Literature: Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical, , vol. 19, # 1 p. 1 - 6
7732-18-5 structure

7732-18-5
7726-95-6 structure

7726-95-6
127-17-3 structure

127-17-3

~%

1113-59-3 structure

1113-59-3

Detail
Literature: Chemische Berichte, , vol. 14, p. 1236 Anm. 1 Bulletin de la Societe Chimique de France, , vol. <2> 21, p. 391,393 Chemische Berichte, , vol. 1, p. 265 Justus Liebigs Annalen der Chemie, , vol. 152, p. 264

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title: CAS No. 1113-59-3 | Chemsrc address: https://m.chemsrc.com/en/baike/671423.html

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