Gemcitabine, Cytidine analog

关键信息

CAS 号

95058-81-4

纯度

>98%

形式

Solid

form

分子量

263.2 Da

分子式

C₉H₁₁F₂N₃O₄

PubChem

60750

属性

Synthetic

溶解度

Soluble in DMSO to 50 mM

生化试剂名称

Gemcitabine

生物学描述

Cytidine analog. Antimetabolite. Induces apoptosis. Blocks cytosine nucleotide conversion into the deoxy derivative and blocks incorporation of the thymidine nucleotide into the DNA strand. Shows antitumor effects in vivo.

经典 SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F

同分异构的 SMILES

C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F

InChi

InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1

InChiKey

SDUQYLNIPVEERB-QPPQHZFASA-N

IUPAC 名

4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one