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1022-79-3,MFCD00047496
Catalog No.:AA0006T7
1022-79-3 | 5-Bromo-2'-deoxycytidine
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1g
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5g
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$555.00   $389.00
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  • Technical Information
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  • Literature
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  • Technical Information
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Technical Information
Catalog Number:
AA0006T7
Chemical Name:
5-Bromo-2'-deoxycytidine
CAS Number:
1022-79-3
Molecular Formula:
C9H12BrN3O4
Molecular Weight:
306.1133
MDL Number:
MFCD00047496
IUPAC Name:
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H12BrN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChI Key:
KISUPFXQEHWGAR-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(nc1=O)N
EC Number:
213-824-2
Properties
Computed Properties
 
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
305.001g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
306.116g/mol
Monoisotopic Mass:
305.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Synonyms
 
5 Bromo 2' Deoxycytidine 
5-Bromo-2'-Deoxycytidine 
6M3TP1AIBH 
BCDR 
MFCD00047496 
5-bromo-2'-deoxycytidine monohydrate 
EINECS 213-824-2 
NSC 61765 
CYTIDINE, 5-BROMO-2'-DEOXY- 
BRN 0027385 
C.A.S. 1,022,793 
C9H12BrN3O4 
Bromodeoxycytidine 
5-Bromo-dCrd 
5-br-dc 
AC1LAOJI 
2'-deoxy-5-bromocytidine 
AC1Q23UX 
4-25-00-03689 (Beilstein Handbook Reference) 
5-bromo-2'-doxy-D-cytidine 
Cytidine,5-bromo-2'-deoxy- 
SCHEMBL197813 
5-bromo-2'-deoxy-d-cytidine 
5-Bromo-2'-deoxycytidine 
CHEMBL386413 
CTK4A0890 
KISUPFXQEHWGAR-RRKCRQDMSA-N 
5-bromo-2''-deoxycytidine(5-brdc) 
ANW-54456 
HG1358 
ZINC17322984 
AKOS015833979 
AKOS016001310 
AJ-70062 
1022-79-3 
AK-86986 
AB0028225 
AX8017308 
TC-071342 
ST24043227 
X0277 
22B793 
K-0300 
C-50249 
5-bromo-2 inverted exclamation mark -deoxy-cytidin 
4-Amino-5-bromo-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one 
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one 
4-Amino-5-bromo-1-((2R,4S,5R)-4-hydroxy-5-(hydroxy-methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one 
4-amino-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one 
5BT 
C9-H12-Br-N3-O4 
AR-1G7390 
CID472175 
102396-21-4 
5-Bromodeoxycytidine 
UNII-6M3TP1AIBH 
Brcdr 
Bromodeoxycytidine 
Literature

Title: Synthesis, molecular conformation and activity against herpes simplex virus of (E)-5-(2-bromovinyl)-2'-deoxycytidine analogs.

Journal: Nucleosides, nucleotides & nucleic acids 20120401

Title: Effects of the genotoxic agent 5-bromo-2'-deoxyuridine with or without pre-pubertal gonadectomy on brain monoamines and their metabolites in female rats.

Journal: Brain research bulletin 20110530

Title: Mutational specificities of brominated DNA adducts catalyzed by human DNA polymerases.

Journal: Journal of molecular biology 20110311

Title: Novel p63 target genes involved in paracrine signaling and keratinocyte differentiation.

Journal: Cell death & disease 20100901

Title: Reaction of 2'-deoxycytidine with peroxynitrite in the presence of ammonium bromide.

Journal: Bioorganic & medicinal chemistry 20080501

Title: Hypoxia-driven proliferation of embryonic neural stem/progenitor cells--role of hypoxia-inducible transcription factor-1alpha.

Journal: The FEBS journal 20080401

Title: Synthesis and antiviral activity of 5-substituted cytidine analogues: identification of a potent inhibitor of viral RNA-dependent RNA polymerases.

Journal: Journal of medicinal chemistry 20061019

Title: Inhibition of severe acute respiratory syndrome-associated coronavirus (SARSCoV) by calpain inhibitors and beta-D-N4-hydroxycytidine.

Journal: Antiviral chemistry & chemotherapy 20040101

Title: Identification and quantification of mutagenic halogenated cytosines by gas chromatography, fast atom bombardment, and electrospray ionization tandem mass spectrometry.

Journal: Analytical biochemistry 20030615

Title: A novel concept of glomeruloid body formation in experimental cerebral metastases.

Journal: Journal of neuropathology and experimental neurology 20030601

Title: Relation of distal nephron changes to proximal tubular damage in uranyl acetate-induced acute renal failure in rats.

Journal: American journal of nephrology 20020101

Title: Production of brominating intermediates by myeloperoxidase. A transhalogenation pathway for generating mutagenic nucleobases during inflammation.

Journal: The Journal of biological chemistry 20010316

Title: Synthesis and antiviral activity of phosphonoacetic and phosphonoformic acid esters of 5-bromo-2'-deoxyuridine and related pyrimidine nucleosides and acyclonucleosides.

Journal: Journal of medicinal chemistry 19890201

Title: Synthesis and antiviral properties of (E)-5-(2-bromovinyl)-2'-deoxycytidine-related compounds.

Journal: Journal of medicinal chemistry 19880101

Title: (E)-5-(2-Bromovinyl)-2'-deoxyuridine: a potent and selective anti-herpes agent.

Journal: Proceedings of the National Academy of Sciences of the United States of America 19790601

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