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2′-Deoxycytidine hydrochloride (NSC 83251) 3992-42-5

2′-Deoxycytidine hydrochloride (NSC 83251) 3992-42-5

CAS No.: 3992-42-5

2'-Deoxycytidine HCl (NSC-83251), the hydrochloride salt of 2'-Deoxycytidine, is composed of the purine nucleoside guani
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2'-Deoxycytidine HCl (NSC-83251), the hydrochloride salt of 2'-Deoxycytidine, is composed of the purine nucleoside guanine linked by its N9 nitrogen to the C1 carbon of deoxyribose. It is similar to guanosine, but with one hydroxyl group removed from the 2' position of the ribose sugar (making it deoxyribose). If a phosphate group is attached at the 5' position, it becomes deoxyguanosine monophosphate.



Physicochemical Properties


Molecular Formula C9H14CLN3O4
Molecular Weight 263.6782
Exact Mass 263.067
CAS # 3992-42-5
Related CAS # 2'-Deoxycytidine;951-77-9
PubChem CID 107488
Appearance White to off-white solid powder
Melting Point 168-170°C
Flash Point 254.8ºC
Index of Refraction 57 ° (C=1, H2O)
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Heavy Atom Count 17
Complexity 355
Defined Atom Stereocenter Count 3
SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.Cl

InChi Key LTKCXZGFJFAPLY-OERIEOFYSA-N
InChi Code

InChI=1S/C9H13N3O4.ClH/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);1H/t5-,6+,8+;/m0./s1
Chemical Name

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
Synonyms

2'-Deoxycytidine hydrochloride; 2'-Deoxycytidine monohydrochloride; Deoxycytidine hydrochloride; NSC83251; NSC 83251; NSC-83251;
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, avoid exposure to moisture.
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


References https://en.wikipedia.org/wiki/Deoxyguanosine

Solubility Data


Solubility (In Vitro) H2O : ≥ 41 mg/mL (~155.49 mM)
DMSO : ~25 mg/mL (~94.81 mM)
Solubility (In Vivo) Solubility in Formulation 1: 2.5 mg/mL (9.48 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear 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 (9.48 mM) 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; 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: 50 mg/mL (189.62 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.7925 mL 18.9624 mL 37.9248 mL
5 mM 0.7585 mL 3.7925 mL 7.5850 mL
10 mM 0.3792 mL 1.8962 mL 3.7925 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.