Docetaxel-d5 (CAS 114977-28-5 (unlabeled))

物理状态 :

Solid

溶解度 :

Soluble in chloroform, dichloromethane, DMSO, ethyl acetate, methanol, and ethanol (25 mg/ml) (unlabeled). Insoluble in water (unlabeled).

保存 :

Store at -20° C

熔点 :

>155° C (dec.)

密度 :

~1.37 g/cm³ (Predicted) (unlabeled)

折射率 :

n²⁰_D 1.62 (unlabeled)

光学活性 :

α20/D -36°, c = 0.74 in ethanol (unlabeled)

IC50 :

HL60-0607-2 cells: IC₅₀ = 0.01 nM (human) (unlabeled); MDA231 cells : IC₅₀ = 0.02 nM (human) (unlabeled); KB: IC₅₀ = 0.1 nM (human) (unlabeled); Growth hormone-releasing hormone receptor: IC₅₀ = 0.14 nM (human) (unlabeled); HCT-116: IC₅₀ = 0.18 nM (human) (unlabeled)

Ki 数据 :

Neurokinin 2 receptor: K_i= 0.52 µM (human) (unlabeled)

pK值 :

pK_a: 11.20 (Predicted) (unlabeled)

德国水公害等级 :

3

RTECS :

DA4172750

PubChem CID :

Merck 索引 :

14: 3397

MDL 号码 :

MFCD00800737

Beilstein 注册 :

4290183

SMILES :

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)OC2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C5=C(C(C[C@@]2(C5(C)C)O)OC(=O)C([C@H](C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)C)O)C)[2H])[2H]