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DMTr-dH2U-amidite

CAT: 0804-HY-154327Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-154327Size:1 Each
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Description
DMTr-dH2U-amidite is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
CAS Number
151503-28-5
UNSPSC
12352005
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/dmtr-dh2u-amidite.html
Solubility
10 mM in DMSO
Smiles
CC(C)N(C(C)C)P(O[C@H]1C[C@H](N(C=N2)C=CC2=O)O[C@@H]1COC(C3=CC=CC=C3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)OCCC#N
Molecular Formula
C39H47N4O7P
Molecular Weight
714.79
References & Citations
[1]Robak T, Robak P. Purine nucleoside analogs in the treatment of rarer chronic lymphoid leukemias. Curr Pharm Des. 2012;18 (23) :3373-88.
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

DMTr-dH2U-amidite
CAS Number151503-28-5
PubChem CID167312651
IUPAC Name3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(4-oxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC39H47N4O7P
Molecular Weight714.8
XLogP5.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count51
Formal Charge0
Complexity1160
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=O)N=C5
InChI
InChI=1S/C39H47N4O7P/c1-28(2)43(29(3)4)51(48-24-10-22-40)50-35-25-38(42-23-21-37(44)41-27-42)49-36(35)26-47-39(30-11-8-7-9-12-30,31-13-17-33(45-5)18-14-31)32-15-19-34(46-6)20-16-32/h7-9,11-21,23,27-29,35-36,38H,10,24-26H2,1-6H3/t35-,36+,38+,51?/m0/s1
InChIKey
KMZDUEOOUPMTJZ-CWDWRSLKSA-N
Chemical Structure
2D Structure
2D structure of DMTr-dH2U-amidite
CAS: 151503-28-5
CID: 167312651
Formula: C39H47N4O7P
MW: 714.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight714.8
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass714.31823685
Monoisotopic Mass714.31823685
Topological Polar Surface Area115 Ų
Heavy Atom Count51
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes