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5-Azacytidine 5′-triphosphate

CAT: 0013-GTR19217418-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217418-01Size:5 mg
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Description
5-Azacytidine triphosphate (5-aza-CTP) acts as a cytidine analogue that specifically blocks the integration of CTP into RNA by DNA-dependent RNA polymerase, while sparing UTP incorporation. This inhibitor is utilized in epigenetics and RNA synthesis research for both in vitro transcriptional studies and investigations into nucleotide metabolism.
CAS Number
2226-74-6
Smiles
O[C@H]1[C@@H] (O[C@H] (COP (OP (OP (=O) (O) O) (=O) O) (=O) O) [C@H]1O) N2C (=O) N=C (N) N=C2
Molecular Formula
C8H15N4O14P3
Molecular Weight
484.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5'-Azacytidine 5'-triphosphate
CAS Number2226-74-6
PubChem CID150984
IUPAC Name[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]amino] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
Molecular FormulaC8H15N4O14P3
Molecular Weight484.14
XLogP-8
Topological Polar Surface Area280
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity856
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)NOP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C8H15N4O14P3/c9-3-1-2-12(8(15)10-3)7-5(14)4(13)6(23-7)11-24-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4-7,11,13-14H,(H,19,20)(H,21,22)(H2,9,10,15)(H2,16,17,18)/t4-,5+,6-,7+/m0/s1
InChIKey
ISWUHFDEXOSOCJ-BNHYGAARSA-N
Chemical Structure
2D Structure
2D structure of 5'-Azacytidine 5'-triphosphate
CAS: 2226-74-6
CID: 150984
Formula: C8H15N4O14P3
MW: 484.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.14
XLogP3-8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass483.97976216
Monoisotopic Mass483.97976216
Topological Polar Surface Area280 Ų
Heavy Atom Count29
Formal Charge0
Complexity856
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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