CAS 2341-22-2 | Cytidine, 5-fluoro- | CAS Number 2341-22-2

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2341-22-2 | Cytidine, 5-fluoro-

CAS No: 2341-22-2 Catalog No: AG002N5I MDL No:MFCD00210953

Product Description

Catalog Number:

AG002N5I

Chemical Name:

Cytidine, 5-fluoro-

CAS Number:

2341-22-2

Molecular Formula:

C9H12FN3O5

Molecular Weight:

261.2071

MDL Number:

MFCD00210953

IUPAC Name:

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

InChI:

InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1

InChI Key:

STRZQWQNZQMHQR-UAKXSSHOSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(nc1=O)N

UNII:

VOR4X0D7WR

Properties

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.209g/mol

Monoisotopic Mass:

261.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.1

Literature

Title	Journal
Flight of a cytidine deaminase complex with an imperfect transition state analogue inhibitor: mass spectrometric evidence for the presence of a trapped water molecule.	Biochemistry 20120814
Adenovirus-mediated double suicide gene selectively kills gastric cancer cells.	Asian Pacific journal of cancer prevention : APJCP 20120101
Comparison of in vitro metabolic conversion of capecitabine to 5-FU in rats, mice, monkeys and humans--toxicological implications.	The Journal of toxicological sciences 20110801
Activation of the human immune system by chemotherapeutic or targeted agents combined with the oncolytic parvovirus H-1.	BMC cancer 20110101
Potential of DNMT and its Epigenetic Regulation for Lung Cancer Therapy.	Current genomics 20090801
A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy.	Journal of medicinal chemistry 20090423
Characterization of hepatitis B virus inhibition by novel 2'-fluoro-2',3'-unsaturated beta-D- and L-nucleosides.	Antiviral chemistry & chemotherapy 20050101
Investigating the effects of stereochemistry on incorporation and removal of 5-fluorocytidine analogs by mitochondrial DNA polymerase gamma: comparison of D- and L-D4FC-TP.	Antiviral research 20040401
l-2',3'-Didehydro-2',3'-dideoxy-3'-fluoronucleosides: synthesis, anti-HIV activity, chemical and enzymatic stability, and mechanism of resistance.	Journal of medicinal chemistry 20030717
Catalytic mechanism of DNA-(cytosine-C5)-methyltransferases revisited: covalent intermediate formation is not essential for methyl group transfer by the murine Dnmt3a enzyme.	Journal of molecular biology 20030613
Stereoselective synthesis and antiviral activity of D-2',3'-didehydro-2',3'-dideoxy-2'-fluoro-4'-thionucleosides.	Journal of medicinal chemistry 20021024
Phosphorylation of uridine and cytidine nucleoside analogs by two human uridine-cytidine kinases.	Molecular pharmacology 20010501
Structure-activity relationships of beta-D-(2S,5R)- and alpha-D-(2S,5S)-1,3-oxathiolanyl nucleosides as potential anti-HIV agents.	Journal of medicinal chemistry 19930903