Raluridine

CAT: 0931-T19689-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T19689-02Size:50 mg

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CAS Number

119644-22-3

Target

Others, Nucleoside Antimetabolite/Analog

Related Pathways

Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Others

Bioactivity

Raluridine is a RNA-directed DNA polymerase inhibitor potentially for the treatment of HIV infection. 935U83 inhibited virus growth with an average 50% inhibitory concentration (IC50: 1.8 microM) corresponding IC50s were 0.10 microM for FLT (3'-deoxy-3'-fluorothymidine) and 0.23, 0.49, and 0.03 microM for the approved agents AZT, ddI (2',3'-dideoxyinosine), and ddC (2',3'-dideoxycytosine), respectively.

Smiles

O=C1N([C@@H]2O[C@H](CO)[C@@H](F)C2)C=C(Cl)C(=O)N1

Molecular Formula

C9H10ClFN2O4

Molecular Weight

264.64

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Raluridine

Raluridine has been used in trials studying the treatment of HIV Infections.

CAS Number	119644-22-3
PubChem CID	451480
IUPAC Name	5-chloro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular Formula	C9H10ClFN2O4
Molecular Weight	264.64
XLogP	0.2
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	389

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)F

InChI

InChI=1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)/t5-,6+,7+/m0/s1

InChIKey

WKVDSZYIGHLONN-RRKCRQDMSA-N

Chemical Structure

2D Structure

CAS: 119644-22-3

CID: 451480

Formula: C9H10ClFN2O4

MW: 264.64

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	264.64
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	264.0313127
Monoisotopic Mass	264.0313127
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
PC1008098	Raluridine

Raluridine

Chemical Information

Alternative Products

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