2'-Deoxycytidine

Description

2'-Deoxycytidine · CAS 951-77-9 · C9H13N3O4. UNII 0W860991D6. Melting Point: 207 - 210 °C; Solubility: 870 mg/mL; LogP: -1.77.

Identification

CAS Registry Number	951-77-9
PubChem CID	13711
Molecular formula	C9H13N3O4
IUPAC name	4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
UNII (FDA)	0W860991D6

Computed Descriptors

Molecular Weight	227.22
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	227.09060590
Monoisotopic Mass	227.09060590
Topological Polar Surface Area	108
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Melting Point	207 - 210 °C
Solubility	870 mg/mL
LogP	-1.77
Collision Cross Section	156.1 Ų [M+Na]+
Collision Cross Section	149.1 Ų [M-H]-
Collision Cross Section	158.5 Ų [M+K]+

Physical description & handling notes

• White powder; [Sigma-Aldrich MSDS]
• Solid
• 158.41 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
• 146.84 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 154.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 155.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Regulatory Status

GHS notification summary	92.3% (12 / 13)

GHS Hazard Classification

GHS notification summary	92.3% (12 / 13)

Documented Uses

• In combination with [thymidine], doxecitine is indicated for the treatment of thymidine kinase 2 deficiency (TK2d) in adults and pediatric patients with an age of symptom onset on or before 12 years.
• Take with food. Food increases drug Cmax and AUC.
• Doxecitine is administered orally, with rapid absorption and plasma concentrations returning to near baseline within 8 to 12 hours. The absolute bioavailability of doxecitine following oral administration has not been determined. The median time to peak plasma concentration (Tmax) was approximately two hours for doxecitine.
• Urinary excretion of intact doxecitine and doxribtimine was <1% of the dose in healthy subjects following an oral administration of doxecitine and doxribtimine.
• In vitro plasma protein binding of doxecitine was less than 10% over the concentration range between 0.23 mcg/mL and 23 mcg/mL.
• Doxecitine is primarily degraded by cytidine deaminase to its nucleobases and the 2-deoxy-α-D-ribose 1-phosphate moiety. Intermediate products of doxecitine catabolism are deoxyuridine, uracil, and dihydrouracil with the end products β-alanine, ammonia, and carbon dioxide (CO2).

Synonyms

2'-deoxycytidine; 951-77-9; deoxycytidine; CYTIDINE, 2'-DEOXY-; Deoxyribose cytidine; Cytosine deoxyriboside; dCYD; Doxecitine; Desoxycytidin; Cytosine, deoxyribonucleoside; 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 0W860991D6; CHEBI:15698; DTXSID70883620; MT-1621 COMPONENT 2'-DEOXYCYTIDINE; 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

Frequently Asked Questions

What are the CAS number and molecular formula of 2'-Deoxycytidine?

CAS 951-77-9; molecular formula C9H13N3O4; molecular weight — g/mol.

What other names is 2'-Deoxycytidine known by?

2'-deoxycytidine, 951-77-9, deoxycytidine, CYTIDINE, 2'-DEOXY-, Deoxyribose cytidine, Cytosine deoxyriboside.

Is 2'-Deoxycytidine classified as hazardous?

92.3% of GHS notifications report no hazard classification (12 of 13).

What are the key physical properties of 2'-Deoxycytidine?

Melting Point: 207 - 210 °C; Solubility: 870 mg/mL; LogP: -1.77; Collision Cross Section: 156.1 Ų [M+Na]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.