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L-Proline-13C5 (L-Proline 13C5) 201740-83-2

L-Proline-13C5 (L-Proline 13C5) 201740-83-2

CAS No.: 201740-83-2

L-Proline-13C5 is a 13C (carbon 13) labelled L-Proline. L-Proline is one of twenty amino acid (AA)s in the human body th
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L-Proline-13C5 is a 13C (carbon 13) labelled L-Proline. L-Proline is one of twenty amino acid (AA)s in the human body that are used to build proteins.

Physicochemical Properties


Molecular Formula 13C5H9NO2
Molecular Weight 120.09
Exact Mass 120.08
CAS # 201740-83-2
Related CAS # L-Proline;147-85-3
PubChem CID 71309553
Appearance White to off-white solid powder
Density 1.2±0.1 g/cm3
Melting Point 228℃ (dec.) (lit.)
Index of Refraction 1.487
LogP -2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Heavy Atom Count 8
Complexity 103
Defined Atom Stereocenter Count 1
SMILES

[13CH2]1[13CH2][13C@H](N[13CH2]1)[13C](=O)O

InChi Key ONIBWKKTOPOVIA-JRGPAWSWSA-N
InChi Code

InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
Chemical Name

(2S)-(2,3,4,5-13C4)azolidine-2-carboxylic 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 Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

Additional Infomation Proline_13C5 is a proline derivative and a (13)C-modified compound.

Solubility Data


Solubility (In Vitro) H2O: 125 mg/mL (1040.89 mM)
Solubility (In Vivo) Solubility in Formulation 1: 100 mg/mL (832.71 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 8.3271 mL 41.6354 mL 83.2709 mL
5 mM 1.6654 mL 8.3271 mL 16.6542 mL
10 mM 0.8327 mL 4.1635 mL 8.3271 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.