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7,8-Dihydro-L-biopterin 6779-87-9

7,8-Dihydro-L-biopterin 6779-87-9

CAS No.: 6779-87-9

7,8-Dihydro-L-biopterin is the oxidation product of tetrahydrobiopterin.
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7,8-Dihydro-L-biopterin is the oxidation product of tetrahydrobiopterin.

Physicochemical Properties


Molecular Formula C9H13N5O3
Molecular Weight 239.23122
Exact Mass 239.101
CAS # 6779-87-9
PubChem CID 135398687
Appearance Light yellow to yellow solid powder
Density 1.9±0.1 g/cm3
Boiling Point 470.8±55.0 °C at 760 mmHg
Melting Point >300℃ dec.
Flash Point 238.5±31.5 °C
Vapour Pressure 0.0±2.6 mmHg at 25°C
Index of Refraction 1.822
LogP -3.39
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Heavy Atom Count 17
Complexity 454
Defined Atom Stereocenter Count 2
SMILES

C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O

InChi Key FEMXZDUTFRTWPE-DZSWIPIPSA-N
InChi Code

InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
Chemical Name

2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one
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


Additional Infomation L-erythro-7,8-dihydrobiopterin is a 7,8-dihydrobiopterin in which the 1,2-dihydroxypropyl group has (1R,2S)-configuration; naturally occurring form. It is an enantiomer of a D-erythro-7,8-dihydrobiopterin.
7,8-Dihydrobiopterin is an inhibitor of the enzyme dihydroneopterin aldolase (DHNA), which catalyzes the conversion of 7,8-Dihydrobiopterin to 6-hydroxymethyl-7,8-dihydropterin and glycolaldehyde.

Solubility Data


Solubility (In Vitro) DMSO : ~150 mg/mL (~627.01 mM)
H2O : ~6 mg/mL (~25.08 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (10.45 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 (10.45 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: 12.5 mg/mL (52.25 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C).

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.1801 mL 20.9004 mL 41.8008 mL
5 mM 0.8360 mL 4.1801 mL 8.3602 mL
10 mM 0.4180 mL 2.0900 mL 4.1801 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.