Harmalol HCl is a beta-carboline alkaloid found in several medicinal plants, such as Peganum harmala. Harmalol HCl, the major metabolite of Harmaline, significantly inhibits dioxin-mediated CYP1A1 induction at the transcriptional and post-translational levels. Harmalol HCl has antioxidant and hydroxyl radical scavenging properties.

Physicochemical Properties

Molecular Formula	C12H13CLN2O
Molecular Weight	236.70
Exact Mass	236.072
CAS #	6028-07-5
Related CAS #	525-57-5 (Parent)
PubChem CID	145825
Appearance	Light yellow to yellow solid powder
Boiling Point	507.5ºC at 760 mmHg
Melting Point	265-268ºC (dec.)
Flash Point	231ºC
LogP	2.476
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	16
Complexity	289
Defined Atom Stereocenter Count	0
InChi Key	BSWAWVOHMZNXOS-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H12N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-3,6,14-15H,4-5H2,1H3;1H
Chemical Name	1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol;hydrochloride
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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

Targets	CYP1
References	[1]. Harmaline and harmalol inhibit the carcinogen-activating enzyme CYP1A1 via transcriptional and posttranslational mechanisms. Food Chem Toxicol. 2012;50(2):353-362.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (422.48 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (10.56 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (10.56 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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: 5 mg/mL (21.12 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 4: 2 mg/mL (8.45 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.2248 mL	21.1238 mL	42.2476 mL
	5 mM	0.8450 mL	4.2248 mL	8.4495 mL
	10 mM	0.4225 mL	2.1124 mL	4.2248 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.