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DMT-2'-F-Bz-dC

CAT: 0804-HY-154413Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-154413Size:1 Each
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Description
DMT-2'-F-Bz-dC is a cytidine analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].
CAS Number
154771-33-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Nucleoside Antimetabolite/Analog
Type
Oligonucleotides
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dmt-2-f-bz-dc.html
Solubility
10 mM in DMSO
Smiles
O=C(N=C(NC(C1=CC=CC=C1)=O)C=C2)N2[C@@H]3O[C@H](COC(C4=CC=CC=C4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)[C@H](O)C3F
Molecular Formula
C37H34FN3O7
Molecular Weight
651.68
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Gowher H, et al. Mechanism of inhibition of DNA methyltransferases by cytidine analogs in cancer therapy. Cancer Biol Ther. 2004 Nov;3 (11) :1062-8.
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

N-(1-((2R,3S,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
CAS Number154771-33-2
PubChem CID70700565
IUPAC NameN-[1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC37H34FN3O7
Molecular Weight651.7
XLogP5.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1120
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@@H]([C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)F)O
InChI
InChI=1S/C37H34FN3O7/c1-45-28-17-13-26(14-18-28)37(25-11-7-4-8-12-25,27-15-19-29(46-2)20-16-27)47-23-30-33(42)32(38)35(48-30)41-22-21-31(40-36(41)44)39-34(43)24-9-5-3-6-10-24/h3-22,30,32-33,35,42H,23H2,1-2H3,(H,39,40,43,44)/t30-,32+,33-,35-/m1/s1
InChIKey
RAIBEZUVTIPFOJ-SHERYBNQSA-N
Chemical Structure
2D Structure
2D structure of N-(1-((2R,3S,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
CAS: 154771-33-2
CID: 70700565
Formula: C37H34FN3O7
MW: 651.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight651.7
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass651.23807859
Monoisotopic Mass651.23807859
Topological Polar Surface Area119 Ų
Heavy Atom Count48
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes