7-Bromoheptanoic acid is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research.

Physicochemical Properties

Molecular Formula	C7H13BRO2
Molecular Weight	209.08
Exact Mass	208.009
CAS #	30515-28-7
PubChem CID	121723
Appearance	Colorless to off-white <31°C solid powder,>31°C liquid
Density	1.4±0.1 g/cm3
Boiling Point	280.7±13.0 °C at 760 mmHg
Melting Point	136-138°C
Flash Point	123.6±19.8 °C
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.488
LogP	2.23
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	10
Complexity	93.6
Defined Atom Stereocenter Count	0
SMILES	C(CCCBr)CCC(=O)O
InChi Key	JLPQXFFMVVPIRW-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
Chemical Name	7-bromoheptanoic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro

7-Bromoheptanoic acid is a component that is necessary. It has been utilized to create SAHA derivatives that block histone deacetylase (hdac) and azidonicotinamide phosphoribosyltransferase (Nampt) inhibitors with anticancer potential.

References

[1]. Colombano, G., Travelli, C., Galli, U., et al.A novel potent nicotinamide phosphoribosyltransferase inhibitor synthesized via click chemistryJ. Med. Chem.53(2)616-623(2010) [2]. Suzuki, T., Nagano, Y., Kouketsu, A., et al. Novel inhibitors of human histone deacetylases: Design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates J. Med. Chem. 48(4) 1019-1032(2005)

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (478.29 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.96 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (11.96 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (11.96 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.7829 mL	23.9143 mL	47.8286 mL
	5 mM	0.9566 mL	4.7829 mL	9.5657 mL
	10 mM	0.4783 mL	2.3914 mL	4.7829 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.