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DMT-2'-OMe-Bz-C

CAT: 0804-HY-W115186-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W115186-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMT-2'-OMe-Bz-C 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
110764-74-4
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Nucleoside Antimetabolite/Analog
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dmt-2-ome-bz-c.html
Concentration
10mM
Purity
99.52
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@H]1[C@@H](OC)[C@H](N2C(N=C(NC(C3=CC=CC=C3)=O)C=C2)=O)O[C@@H]1COC(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
Molecular Formula
C38H37N3O8
Molecular Weight
663.72
Precautions
H315, H319, H335
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

DMT-2'-OMe-Bz-C
CAS Number110764-74-4
PubChem CID13872214
IUPAC NameN-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC38H37N3O8
Molecular Weight663.7
XLogP5.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count49
Formal Charge0
Complexity1130
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI
InChI=1S/C38H37N3O8/c1-45-29-18-14-27(15-19-29)38(26-12-8-5-9-13-26,28-16-20-30(46-2)21-17-28)48-24-31-33(42)34(47-3)36(49-31)41-23-22-32(40-37(41)44)39-35(43)25-10-6-4-7-11-25/h4-23,31,33-34,36,42H,24H2,1-3H3,(H,39,40,43,44)/t31-,33-,34-,36-/m1/s1
InChIKey
WXJKGOQQYUVNQW-YDXJMRNDSA-N
Chemical Structure
2D Structure
2D structure of DMT-2'-OMe-Bz-C
CAS: 110764-74-4
CID: 13872214
Formula: C38H37N3O8
MW: 663.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight663.7
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass663.25806515
Monoisotopic Mass663.25806515
Topological Polar Surface Area128 Ų
Heavy Atom Count49
Formal Charge0
Complexity1130
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

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