Deferasirox CAS: 201530-41-8
MF: C21H15N3O4
MW: 373.36
A tridentate chelator that binds iron with high affinity.

Deferasirox (CAS 201530-41-8)

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同义词: 4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic Acid; Exjade; ICL-670; ICL-670A; CGP-72670
应用; A tridentate chelator that binds iron with high affinity
CAS号码: 201530-41-8
纯度: ≥99%
分子量: 373.36
分子式: C21H15N3O4
* 参考分析证明 大量特定数据 (包括水 含量).
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Deferasirox is a tridentate iron chelator that binds iron with high affinity in a 2:1 ratio. Although deferasirox has very low affinity for zinc and copper, there are variable decreases in the serum concentration of these trace metals after the administration of deferas.


参考文献

Hershko, C., et al.: Blood, 97, 1115 (2001), Galanello, R., et al.: J. Clin. Pharmacol., 43, 565 (2003), Nick, H., et al.: Curr. Med. Chem., 10, 1065 (2003),

物理状态 :
Solid
溶解度 :
Soluble in water (<1 mg/ml at 25° C), DMSO (75 mg/ml at 25° C), ethanol (2 mg/ml at 25° C), methanol, and ethyl acetate.
保存 :
Store at -20° C
熔点 :
258-263° C
沸点 :
~672.1° C at 760 mmHg (Predicted)
密度 :
~1.4 g/cm3 (Predicted)
折射率 :
n20D 1.70 (Predicted)
IC50 :
MDA-MB-231: IC50 = 4 µM (human); MIA PaCa-2 : IC50 = 10 µM (human); SK-N-MC: IC50 = 20.54 µM (human); ADMET: IC50 = 0.1 mM (human)
pK值 :
pKa: 3.54 (Predicted), pKb: 0.35 (Predicted)
仅供科研使用。不可用于诊断或治疗。
RTECS :
DG4438400
PubChem CID :
5493381
MDL 号码 :
MFCD09951804
Beilstein 注册 :
8442898
SMILES :
C1=C/C(=C/2\\N/C(=C\\3/C=CC=CC3=O)/N(N2)C4=CC=C(C=C4)C(=O)O)/C(=O)C=C1

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PMID: # 30030388  Hansen, JB.|Dos Santos, LRB.|Liu, Y.|Prentice, KJ.|Teudt, F.|Tonnesen, M.|Jonas, JC.|Wheeler, MB.|Mandrup-Poulsen, T.| et al. 2018. J. Mol. Endocrinol. 61: 69-77.

PMID: # 30207798  Cui, R. et al. 2018. FASEB J. fj201800448R.

PMID: # 26006106  Dev, S. et al. 2015. Free Radic. Biol. Med. 86: 78-89.

PMID: # 25779532  Jung, IR. et al. 2015. Molecular and cellular endocrinology. 407: 74-84.

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