(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
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(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
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CAS No:
135598-68-4
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Formula:
C10H12N4O4
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Chemical Name:
(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
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Synonyms:
2'-cyano-2'-deoxyarabinofuranosylcytosine;2'-cyano-2'deoxy-1-beta-D-arabinofuranosylcytosine;CNDAC;CNDAC;135598-68-4;TAS-109;UNII-00M634HD2V;2'-cyano-2'-deoxy-1-(beta-D-arabinofuranosyl)cytosine;TAS 109;00M634HD2V;(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile;(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-carbonitrile;Cytidine, 2'-deoxy-2'-cyano-;Radgocitabine;DFP-10917;140859-14-9;CHEMBL337450;SCHEMBL1006241;DTXSID30159474;CHEBI:145435;DFP10917;EX-A1611;ZINC3806784;HY-16445A;4-Amino-L-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)- 2(1H)-pyrimidinone;CS-6837;DB11667;SB18699;cytidine, 2'-deoxy-2'-cyano-(2'R)-;166268-68-4;1-(2-deoxy-2-cyano-beta-D-arabinofuranosyl)cytosine;Q27231358;1-(2-c-cyano-2-deoxy-beta-d-arabino-pentofuranosyl) cytosine;2'-C-cyano-2'-deoxy-1-beta-D-arabino-pentofuranosyl-cytosine;2(1H)-pyrimidinone, 4-amino-1-(2-cyano-2-deoxy-?-D-arabinofuranosyl)-;4-amino-1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
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CAS No:
Description
CNDAC is a pyrimidine 2'-deoxyribonucleoside that is 2'-deoxycytidine having a cyano group in the 2'-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors. It has a role as an antineoplastic agent, a drug metabolite and a DNA synthesis inhibitor. It is a pyrimidine 2'-deoxyribonucleoside and a nitrile.|2'-cyano-2'-deoxy-1-(beta-D-arabinofuranosyl)cytosine has been used in trials studying the treatment of Advanced Colorectal Cancer.|Radgocitabine is an analogue of the nucleoside deoxycytidine with potential antineoplastic activity. Upon administration, radgocitabine is incorporated into DNA and directly inhibits the activity of DNA polymerase, which may result in inhibition of DNA replication and cell cycle arrest in the S and G2/M phases, DNA fragmentation, and tumor cell apoptosis.
(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile Basic Attributes
252.23 g/mol
252.08585488 g/mol
00M634HD2V
DTXSID30159474
C82697
Computed Properties
Molecular Weight:252.23
XLogP3:-2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:252.08585488
Monoisotopic Mass:252.08585488
Topological Polar Surface Area:132
Heavy Atom Count:18
Complexity:466
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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