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DdhCTP

CAT: 0013-GTR19238131-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238131-03Size:100 mg
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Description
DdhCTP is a nucleoside analog that potently inhibits DNA synthesis, acting as a specific inhibitor of DNA polymerases. It exhibits high affinity for Pol γ (Ki=0.034 μM) and Pol β (Ki=1.32 μM), making it a useful tool for studying mitochondrial DNA replication and base excision repair in vitro.
CAS Number
2279171-34-3
Smiles
O[C@H]1[C@@H] (OC (COP (OP (OP (=O) (O) O) (=O) O) (=O) O) =C1) N2C (=O) N=C (N) C=C2
Molecular Formula
C9H14N3O13P3
Molecular Weight
465.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3'-deoxy-3',4'-didehydro-CTP

3'-deoxy-3',4'-didehydro-CTP is an organic triphosphate resulting from the formal condensation of the 5'-hydroxy group of 3'-deoxy-3',4'-didehydro-cytidine with triphosphoric acid. It is a chain terminator for RNA-dependent RNA polymerases. It has a role as an EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor, an antiviral agent and an antimetabolite. It is a pyrimidone and an organic triphosphate. It is functionally related to a 3'-deoxy-3',4'-didehydro-cytidine. It is a conjugate acid of a 3'-deoxy-3',4'-didehydro-CTP(4-).

CAS Number2279171-34-3
PubChem CID137520688
IUPAC Name[[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC9H14N3O13P3
Molecular Weight465.14
XLogP-5.7
Topological Polar Surface Area248
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity878
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H](C=C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C9H14N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-3,6,8,13H,4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t6-,8-/m1/s1
InChIKey
DGUQXKKDZHTKIE-HTRCEHHLSA-N
Chemical Structure
2D Structure
2D structure of 3'-deoxy-3',4'-didehydro-CTP
CAS: 2279171-34-3
CID: 137520688
Formula: C9H14N3O13P3
MW: 465.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.14
XLogP3-5.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass464.97394850
Monoisotopic Mass464.97394850
Topological Polar Surface Area248 Ų
Heavy Atom Count28
Formal Charge0
Complexity878
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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