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DMT-OMe-rA (Bz)

CAT: 0804-HY-W114886-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W114886-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMT-OMe-rA (Bz) is a nucleoside analog[1].
CAS Number
110764-72-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Nucleoside Antimetabolite/Analog
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dmt-ome-ra-bz.html
Purity
97.0
Smiles
O[C@H]1[C@@H](OC)[C@H](N2C(N=CN=C3NC(C4=CC=CC=C4)=O)=C3N=C2)O[C@@H]1COC(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Molecular Formula
C39H37N5O7
Molecular Weight
687.74
Precautions
H302, H315, H319, H335
References & Citations
[1]Suresh C. Srivastava, et al. N-protected-2'-O-methyl-ribonucleosides and N-protected 2'-O-methyl-3'-cyanoethyl-N-, N-diisopropyl phosphoramidite ribonucleosides. US5214135A.
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

N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide
CAS Number110764-72-2
PubChem CID10770884
IUPAC NameN-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
Molecular FormulaC39H37N5O7
Molecular Weight687.7
XLogP5
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count51
Formal Charge0
Complexity1070
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O
InChI
InChI=1S/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9-13-26,28-16-20-30(48-2)21-17-28)50-22-31-33(45)34(49-3)38(51-31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,34-,38-/m1/s1
InChIKey
SARHDAQOZNKZCC-CJEGOSRCSA-N
Chemical Structure
2D Structure
2D structure of N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide
CAS: 110764-72-2
CID: 10770884
Formula: C39H37N5O7
MW: 687.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.7
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass687.26929854
Monoisotopic Mass687.26929854
Topological Polar Surface Area139 Ų
Heavy Atom Count51
Formal Charge0
Complexity1070
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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