Bromopyruvic acid information

Bromopyruvic acid
Names
	Preferred IUPAC name 3-Bromo-2-oxopropanoic acid
	Other names Bromopyruvate; 3-Bromopyruvic acid; 3-Bromopyruvate; 3-BrPA; 3BP; 3-Br-Pyr
Identifiers
CAS Number	1113-59-3 ;
3D model (JSmol)	Interactive image; Interactive image;
ChEBI	CHEBI:131461 ;
ChEMBL	ChEMBL177837 ;
ChemSpider	63850 ;
ECHA InfoCard	100.012.915
EC Number	214-206-5;
PubChem CID	70684;
UNII	63JMV04GRK ;
CompTox Dashboard (EPA)	DTXSID7040940 ;
	InChI InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7) Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N ; InChI=1/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7) Key: PRRZDZJYSJLDBS-UHFFFAOYAU;
	SMILES C(C(=O)C(=O)O)Br; BrCC(=O)C(=O)O;
Properties
Chemical formula	C3H3BrO3
Molar mass	166.958 g·mol−1
Appearance	white solid
Melting point	79 to 82 °C (174 to 180 °F; 352 to 355 K) (hydrate)
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H290, H314
Precautionary statements	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Bromopyruvic acid is the organic compound with the formula BrCH₂COCO₂H. This colorless solid is the brominated derivative of pyruvic acid. It bears structural similarity to lactic acid and pyruvic acid. It has been investigated as a metabolic poison and an anticancer agent.^[1] Like other α-bromoketones, it is a strong alkylating agent.

^ Peter L. Pedersen (2012). "3-Bromopyruvate (3BP) A Fast Acting, Promising, Powerful, Specific, and Effective "Small Molecule" Anti-Cancer Agent Taken from Labside to Bedside: Introduction to a Special Issue". J. Bioenerg. Biomembr. 44 (1): 1–6. doi:10.1007/s10863-012-9425-4. PMID 22382780. S2CID 43773994.

[1] Peter L. Pedersen (2012). "3-Bromopyruvate (3BP) A Fast Acting, Promising, Powerful, Specific, and Effective "Small Molecule" Anti-Cancer Agent Taken from Labside to Bedside: Introduction to a Special Issue". J. Bioenerg. Biomembr. 44 (1): 1–6. doi:10.1007/s10863-012-9425-4. PMID 22382780. S2CID 43773994.

Bromopyruvic acid information

and 2 Related for: Bromopyruvic acid information

Bromopyruvic acid

Lanthionine ketimine

Names


Preferred IUPAC name 3-Bromo-2-oxopropanoic acid
Other names Bromopyruvate 3-Bromopyruvic acid 3-Bromopyruvate 3-BrPA 3BP 3-Br-Pyr
Identifiers
CAS Number	1113-59-3^Y
3D model (JSmol)	Interactive image Interactive image
ChEBI	CHEBI:131461^N
ChEMBL	ChEMBL177837^Y
ChemSpider	63850^Y
ECHA InfoCard	100.012.915
EC Number	214-206-5
PubChem CID	70684
UNII	63JMV04GRK^Y
CompTox Dashboard (EPA)	DTXSID7040940
InChI InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)^Y Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N^Y InChI=1/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7) Key: PRRZDZJYSJLDBS-UHFFFAOYAU
SMILES C(C(=O)C(=O)O)Br BrCC(=O)C(=O)O
Properties
Chemical formula	C₃H₃BrO₃
Molar mass	166.958 g·mol⁻¹
Appearance	white solid
Melting point	79 to 82 °C (174 to 180 °F; 352 to 355 K) (hydrate)
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H290, H314
Precautionary statements	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references