![Phosphonicacid,[[[1-[(2-amino-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-(9CI) structure, CAS 441785-25-7](/structures/80000/78757_1_441785_25_7.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 441785-25-7 |
| Catalog No. | 2A-9078757 |
| Chinese Name | P-[[[1-[(2-氨基-9H-嘌呤-9-基)甲基]环丙基]氧基]甲基]-磷酸 |
| Synonyms | [({1-[(2-Amino-9H-purin-9-yl)methyl]cyclopropyl}oxy)methyl]phosphonic acid; Besifovir |
| Molecular Formula | C10H14N5O4P |
| Molecular Weight | 299.23 |
| Density | 1.9±0.1 g/cm3 |
| Boiling Point | 668.4±65.0 °C at 760 mmHg |
| Storage Condition | -20°C, sealed, dry |
| Application | Besifovir (LB8033) is a LB80380 parent drug converted from LB80380 and further metabolized to its active form LB80317. Besifovir (LB8033) is an effective antiviral drug against hepatitis B virus (HBV) |
| HTC | 2933990090 |
| PubChem ID | 7836395 |
| MDL Number | C10H14N5O4P |
| SMILES | Nc1ncc2ncn(CC3(OCP(=O)(O)O)CC3)c2n1 |
| InChI | InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18) |
| InChI Key | KDNSSKPZBDNJDF-UHFFFAOYSA-N |
| MSDS | msds/78757_1_441785_25_7.pdf |
| Use of | Properties Name [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid Synonym More Synonyms Besifovir Biological Activity Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> HBV References [1]. Jung JA, et al. Pharmacokinetic comparison of the maleate and free base formulations of LB80380, a novel nucleotide analog, in healthy male volunteers. Int J Clin Pharmacol Ther. 2012 Sep;50(9):657-64. [2]. Yuen MF, et al. A randomized placebo-controlled, dose-finding study of oral LB80380 in HBeAg-positive patients with chronic hepatitis B. Antivir Ther. 2006;11(8):977-83. Chemical & Physical Properties Molecular Formula C10H14N5O4P Exact Mass 299.078339 PSA 146.19000 LogP -2.56 Index of Refraction 1.826 InChIKey KDNSSKPZBDNJDF-UHFFFAOYSA-N SMILES Nc1ncc2ncn(CC3(OCP(=O)(O)O)CC3)c2n1 Safety Information HS Code 2933990090 Synthetic Route diisopropyl ({1... CAS#:693788-86-2 CAS#:441785-25-7 Literature: Choi, Jong-Ryoo; Cho, Dong-Gyu; Roh, Kee Y.; Hwang, Jae-Taeg; Ahn, Sinbyoung; Jang, Hyun S.; Cho, Woo-Young; Kim, Kyong W.; Cho, Young-Gyo; Kim, Jeongmin; Kim, Yong-Zu Journal of Medicinal Chemistry, 2004 , vol. 47, # 11 p. 2864 - 2869 diisopropyl {[1... CAS#:441784-85-6 CAS#:441785-25-7 Literature: Choi, Jong-Ryoo; Cho, Dong-Gyu; Roh, Kee Y.; Hwang, Jae-Taeg; Ahn, Sinbyoung; Jang, Hyun S.; Cho, Woo-Young; Kim, Kyong W.; Cho, Young-Gyo; Kim, Jeongmin; Kim, Yong-Zu Journal of Medicinal Chemistry, 2004 , vol. 47, # 11 p. 2864 - 2869 [[[1-[[(Methyls... CAS#:441784-86-7 CAS#:441785-25-7 Literature: Choi, Jong-Ryoo; Cho, Dong-Gyu; Roh, Kee Y.; Hwang, Jae-Taeg; Ahn, Sinbyoung; Jang, Hyun S.; Cho, Woo-Young; Kim, Kyong W.; Cho, Young-Gyo; Kim, Jeongmin; Kim, Yong-Zu Journal of Medicinal Chemistry, 2004 , vol. 47, # 11 p. 2864 - 2869 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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