NCT-503是phosphoglycerate dehydrogenase (PHGDH)抑制剂，IC50为2.5 μM。NCT-503对其他脱氢酶基本没有活性，对所检测的168种GPCRs没有或仅具有微弱的交叉反应性。 Information NCT-503 NCT-503 is a phosphoglycerate dehydrogenase (PHGDH) inhibitor with the IC50 value of 2.5 μM. It is inactive against a panel of other dehydrogenases and shows minimal cross-reactivity in a panel of 168 GPCRs. Targets PHGDH (Cell-free) 2.5 μM In vitro NCT-503 has reasonable aqueous solubility, and exhibits favorable absorption, distribution, metabolism and excretion (ADME) properties. NCT-503 selectively blocks glucose-derived serine synthesis but at the same time triggers SHMT1-dependent one-carbon unit wasting to synthesize serine from glycine. This futile cycle depletes the cell of nucleotides and leads to cell cycle arrest. In vivo NCT-503 has good exposure (AUClast=14,700 hr*ng/mL), half-life (2.5 hr) and Cmax (~20 µM in plasma) following intraperitoneal administration with significant partitioning into the liver and brain. PHGDH inhibition by NCT-503 selectively increases necrosis in MDA-MB-468 xenografts, but not in MDA-MB-231 xenografts. It also reduces the growth and weight of PHGDH-dependent MDA-MB-468 xenografts but does not affect the growth or weight of PHGDH-independent MDA-MB-231 xenografts.
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NCT-503
Dangerous GoodsCAS number：1916571-90-8 molecular formula：C20H23F3N4S
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compound introduction
Specs
| Chinese alias | - | ||
| English alias | 1-Piperazinecarbothioamide,N-(4,6-dimethyl-2-pyridinyl)-4-[[4-(trifluoromethyl)phenyl]methyl]- | ||
| CAS number | 1916571-90-8 | molecular formula | C20H23F3N4S |
| molecular weight | 408.48 g/mol | Exact mass | ≥98% |
| PSA | 63.500 Ų | logp | 3.9 |
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physicochemical properties
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Safety information
pictogram：
GHS07
Signal word：
Warning
Hazard Statement：
H315: 引起皮肤刺激
Statement of Preventive Measures：
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P302+P352: 如皮肤沾染：用水充分清洗。 P264: 处理后要彻底洗手。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P332+P313: 如发生皮肤刺激：求医/就诊。
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