Basic information
- CAS
125391-75-5- Standard SMILES
Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](F)[C@H]3O)c2n1- InChIKey
BBWXIJICDDYYJZ-DXTOWSMRSA-N- Molecular formula
- C10H13FN6O3
- Average molar mass
- 284.25 g/mol
- Monoisotopic mass
- 284.10331646
Names & identifiers
- Preferred name
- Adenosine, 2-amino-3'-deoxy-3'-fluoro-
- IUPAC
- (2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol
- English name
- Adenosine,2-amino-3'-deoxy-3'-fluoro- (9CI)
- Molecular formula
- C10H13FN6O3
- Molecular weight
- 284.25
Names & synonyms
125391-75-5Adenosine, 2-amino-3'-deoxy-3'-fluoro-2-Amino-3'-deoxy-3'-fluoroadenosine3'F-2-NH2-3'dA3'-Fluoro-3'-deoxy-2-aminoadenosine(2R,3S,4S,5R)-2-(2,6-Diamino-9H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-3-ol(2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-olAdenosine, 2-amino-3'-deoxy-3'-fluoro- (9CI)2-Amino-3'-deoxy-3'-fluoro-adenosineorb1908594CHEMBL4871274DTXSID40154758
Show more names
2-Amino-3’-deoxy-3’-fluoroadenosineAdenosine,2-amino-3'-deoxy-3'-fluoro- (9CI)
TNU0393(2R,3S,4S,5R)-2-(2,6-diamino-9H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol2-Amino-3a?deoxy-3a?fluoroadenosineDA-60098F16601(2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-3-ol
Database identifiers
- CAS
125391-75-5
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- InChI
- InChI=1S/C10H13FN6O3/c11-4-3(1-18)20-9(6(4)19)17-2-14-5-7(12)15-10(13)16-8(5)17/h2-4,6,9,18-19H,1H2,(H4,12,13,15,16)/t3-,4-,6-,9-/m1/s1
- InChIKey
- BBWXIJICDDYYJZ-DXTOWSMRSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C3C(=C(N=C(N)N=3)N)N=C2)[C@H](O)[C@@H]1F
Chemistry & industry
Applications
Uses2-Amino-3’-deoxy-3’-fluoroadenosine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Suppliers15 total
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
郑州诺科赛德生物科技有限公司15981919713 15981919713 · [email protected]
郑州格然林科技有限公司0371-85513397 +86-18610099868 · [email protected]
Related reactions
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Compound notes
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