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| CAS No.: | 160707-69-7 |
|---|---|
| Name: | Apricitabine |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C8H11 N3 O3 S |
| Molecular Weight: | 229.26 |
| Synonyms: | 2(1H)-Pyrimidinone,4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-, (2R-cis)-;(-)-2'-Deoxy-3'-oxa-4'-thiocytidine;(-)-BCH 10652;AVX 754;BCH 10618;SPD 754;2(1H)-Pyrimidinone,4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-; |
| Density: | 1.73 |
| Boiling Point: | 475.4±55.0 °C(Predicted) |
| PSA: | 115.67000 |
| LogP: | -0.01290 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- Total:33 Page 1 of 1 1
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Specification
1. Introduction of Apricitabine
Apricitabine is an analogue of cytidine. The IUPAC name of this chemical is 4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one. Apricitabine belongs to cytidine. Apricitabine is an experimental nucleoside reverse transcriptase inhibitor (NRTI) against HIV.
2. Properties of Apricitabine
Physical properties about Apricitabine are:
(1)XLogP3-AA: -1.2; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 3; (6)Exact Mass: 229.052112; (7)MonoIsotopic Mass: 229.052112; (8)Topological Polar Surface Area: 113; (9)Heavy Atom Count: 15; (10)Formal Charge: 0; (11)Complexity: 331; (12)Isotope Atom Count: 0; (13)Defined Atom Stereocenter Count: 2; (14)Undefined Atom Stereocenter Count: 0; (15)Defined Bond Stereocenter Count: 0; (16)Undefined Bond Stereocenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 3; (19)Feature 3D Donor Count: 3; (20)Feature 3D Ring Count: 2; (21)Effective Rotor Count: 3; (22)Conformer Sampling RMSD: 0.6; (23)CID Conformer Count: 16.
3. Structure Descriptors of Apricitabine
(1)InChI: InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1;
(2)InChIKey: InChIKey=RYMCFYKJDVMSIR-RNFRBKRXSA-N;
(3)Smiles: c1cn(c(=O)nc1N)[C@H]2CO[C@H](S2)CO.
4. Uses of Apricitabine
Apricitabine is an experimental nucleoside reverse transcriptase inhibitor (NRTI) against HIV. When comes to the drug Apricitabine, 1200 mg apricitabine per day reduced the viral load by up to 1.65 logs (45 fold) in a small, 10-day randomized controlled trial. It is structurally related to lamivudine and emtricitabine.