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beta-L-D4A

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Category Human immunodeficiency Virus (HIV)
CAS 7057-48-9
Description beta-L-D4A is a nucleoside HIV-1 reverse transcriptase inhibitor.
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Product Information

Synonyms 2'3'-Didehydro-2'3'-dideoxyadenosine; 2',3'-Dideoxy-2',3'-didehydroadenosine; Adenosine, 2',3'-didehydro-2',3'-dideoxy-; ((2S,5R)-5-(6-Amino-9H-purin-9-yl)-2,5-dihydrofuran-2-yl)methanol; 2'3'-Ddda; NSC 108602; 9-(2,3-Dideoxy-β-D-glycero-pent-2-enofuranosyl)adenine; Didanosine EP Impurity I
IUPAC Name [(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
Molecular Weight 233.23
Molecular Formula C10H11N5O2
Canonical SMILES C1=CC(OC1CO)N2C=NC3=C(N=CN=C32)N
InChI InChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKey JFUOUIPRAAGUGF-NKWVEPMBSA-N
Boiling Point 553.9±60.0°C (Predicted)
Melting Point 187-189°C
Flash Point 288.8°C
Purity ≥95%
Density 1.74±0.1 g/cm3 (Predicted)
Solubility Soluble in DMSO
Appearance Solid powder
Application Anti-HIV Agents
Storage Store at 2-8°C, protect from light
Complexity 313
Exact Mass 233.09127461
Index Of Refraction 1.822
In Vitro beta-L-D4A is a nucleoside HIV-1 reverse transcriptase inhibitor. Results confirm that the biological activity of NSC 108602 is connected with the termination of the DNA chain synthesis in the 5'-3' direction.
PSA 99.08000
Target HIV-1
XLogP3-AA -0.4

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