7-Deaza-7-碘-2’-脱氧腺苷 | 908130-61-0
7-Deaza-7-碘-2’-脱氧腺苷
(2S,3R,5S)-5-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
908130-61-0
C11H13IN4O3
376.150394201279
名称和标识符
InChIKey |
LIIIRHQRQZIIRT-CSMHCCOUSA-N |
Inchi |
1S/C11H13IN4O3/c12-5-2-16(8-1-6(18)7(3-17)19-8)11-9(5)10(13)14-4-15-11/h2,4,6-8,17-18H,1,3H2,(H2,13,14,15)/t6-,7+,8+/m1/s1 |
SMILES |
IC1C2C(=NC=NC=2N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=1)N |
别名信息
- 中文别名 -
- 7-Deaza-7-碘-2’-脱氧腺苷
- 7-脱氮-2'-脱氧-7-碘腺苷
- 7-脱氮-7-碘-2'-脱氧腺苷
- (2S,3R,5S)-5-(4-氨基-5-碘-7H-吡咯并[2,3-d]嘧啶-7-基)-2-(羟甲基)四氢呋喃-3-醇
- 英文别名 -
- 7-Deaza-7-I-2’-dA
- (2S,3R,5S)-5-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
- 7-DEAZA-2'-DEOXY-7-IODOADENOSINE
- 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-(2-deoxy-β-L-erythro-pentofuranosyl)-5-iodo-
- 7-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- 7-Deaza-2?-deoxy-7-iodoadenosine
- AK163024
- AX8256630
- (2S,3R,5S)-5-{4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-(hydroxymethyl)oxolan-3-ol
- 7-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine (ACI)
物化性质
计算特性
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
2 |
重原子数量 |
19 |
复杂度 |
337 |
拓扑分子极性表面积 |
106 |
合成路线
合成路线:1 步
1.1
Reagents:
Ammonium hydroxide
Solvents:
1,4-Dioxane
,
Water
;
72 h, 85 °C
参考文献:
Pyrrolo[2,3-d]pyrimidine β-L-nucleosides containing 7-deazaadenine, 2-amino-7-deazaadenine, 7-deazaguanine, 7-deazaisoguanine, and 7-deazaxanthine
Seela, Frank;
Peng, Xiaohua,
Collection of Czechoslovak Chemical Communications,
2006,
71(7),
956-977