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CAS No.: 1802088-50-1

NCT-501 Catalog No. CSN15746

Synonyms: NCT-501

NCT-501 is a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), inhibits hALDH1A1 with IC50 of 40 nM, typically shows better selectivity over other ALDH isozymes and other dehydrogenases (hALDH1B1, hALDH3A1, and hALDH2, IC50 > 57 μM).

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生物活性

实验方案

技术信息

生物活性

描述The human genome encodes 19 aldehyde dehydrogenase (ALDH) enzymes that metabolize reactive aldehydes to their corresponding carboxylic acid derivatives. Unbalanced biological activity of ALDHs and specific contribution to their metabolism pathway have been associated in a variety of disease states, including alcoholic liver disease, type 2 hyperprolinemia, hyperammonemia, Parkinson's disease, and cancers ^[3]. NCT-501 is a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), inhibits hALDH1A1 with IC50 of 40 nM, typically shows better selectivity over other ALDH isozymes and other dehydrogenases (hALDH1B1, hALDH3A1, and hALDH2, IC50 >57 μM) ^[3]. In vitro, NCT-501 shows a 16% decrease in the Cal-27 CisR cell line at 20 nM concentration, though the difference was not statistically significant ^[4]. The permeability measured in Caco-2 cell line indicates that NCT-501 exhibits excellent permeability and does not seem to be a substrate of transporters, such as P-gp ^[3]. Reasonable volume of distribution (Vss = 1.8 L/kg) but short half-life (t_1/2 < 1 h) and high clearance level (CL = 98 mL min⁻¹ kg⁻¹) indicate that 64 is well absorbed and distributed but rapidly metabolized and/or excreted. This is consistent with the finding of short t_1/2 of CD1 mouse liver microsomal stability (17 min, multipoint format) ^[3]. NCT-501 (100 µg/animal; i.t.; every alternate day for 20 days) shows a 78% inhibition in tumor growth in Cal-27 CisR derived xenografts ^[5].
作用机制NCT-501 is substrate noncompetitive inhibitor, which bind near the solvent exposed exit of substrate-binding site ^[3].

动物研究

剂量

Mice: 2 mg/kg - 30 mg/kg^[2] (i.p. or p.o.); 2 mg/kg^[2] (i.v.)

给药途径

i.p., p.o., i.v.

动物药代数据

Animal	Mice^[2]
Dose	2 mg/kg (i.v.) 30 mg/kg (i.p.) 10 mg/kg (p.o.)
Administration	i.v. i.p. p.o.
F	100% (i.p.) 29% (p.o.)
AUC_24h	332 h·ng/ml (i.v.) 5670 h·ng/ml (i.p.) 484 h·ng/ml (p.o.)
T_1/2	0.5 h (i.v.) 0.7 h (i.p.) 0.4 h (p.o.)
CL	98 ml/min/kg (i.v.)
C_max	2070 ng/ml (i.v.) 8080 ng/ml (i.p.) 696 ng/ml (p.o.)
Vss	1.8 L/kg (i.v.)

参考文献

实验方案

计算器摩尔计算器总药量计算器工作液计算器
储存液制备
- 1 mg
- 5 mg
- 10 mg
- 1 mM
- 2.4009 mL
- 12.0043 mL
- 24.0086 mL
- 5 mM
- 0.4802 mL
- 2.4009 mL
- 4.8017 mL
- 10 mM
- 0.2401 mL
- 1.2004 mL
- 2.4009 mL

技术信息

CAS号

1802088-50-1

储存条件

粉末: Sealed in dry,2-8°C

液体: -20°C:3-6 月 -80°C:12月

分子式

C21H32N6O3

运输

蓝冰

分子量

416.52

别名

NCT-501

溶解度

DMSO	30.0 mg/mL (72.0 mM) warming
Water	Insoluble
Ethanol	25.0 mg/mL (60.0 mM)

动物实验配方

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