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4'-Ethynyl-2'-deoxyadenosine

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Category Human immunodeficiency Virus (HIV)
CAS 306305-07-7
Description 4'-Ethynyl-2'-deoxyadenosine (4'-E-dA), a nucleoside reverse transcriptase (RT) inhibitor, is an antiretroviral agent which is potent against drug-resistant HIV variants, with an EC50 of 98 nM in MT-4 cells for anti-HIV-1 activity.
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Product Information

Synonyms (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
Molecular Weight 275.26
Molecular Formula C12H13N5O3
Canonical SMILES C#CC1(C(CC(O1)N2C=NC3=C(N=CN=C32)N)O)CO
InChI InChI=1S/C12H13N5O3/c1-2-12(4-18)7(19)3-8(20-12)17-6-16-9-10(13)14-5-15-11(9)17/h1,5-8,18-19H,3-4H2,(H2,13,14,15)/t7-,8+,12+/m0/s1
InChIKey HMIGVKANVVLEOA-JOAULVNJSA-N
Boiling Point 202.4±30.0 °C at 760 mmHg
Flash Point 91.4±16.2 °C
Purity ≥95%
Density 1.2±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance Solid Powder
Storage Store lyophilized at -20°C, keep desiccated.
In lyophilized form, the chemical is stable for 36 months.
In solution, store at -20°C and use within 3 months to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.
Exact Mass 136.032440
Index Of Refraction 1.560
Target HIV; Reverse Transcriptase
Vapor Pressure 0.2±0.4 mmHg at 25°C

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