| Identification | Back Directory | [Name]
PHGDH-inactive | [CAS]
1914971-16-6 | [Synonyms]
PHGDH-inactive NCT-503 Inactive Control >=98% (HPLC) N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide 1-Piperazinecarbothioamide, N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)- | [Molecular Formula]
C17H21N5S | [MDL Number]
MFCD30343877 | [MOL File]
1914971-16-6.mol | [Molecular Weight]
327.45 |
| Chemical Properties | Back Directory | [Boiling point ]
497.9±55.0 °C(Predicted) | [density ]
1.268±0.06 g/cm3(Predicted) | [storage temp. ]
4°C, protect from light | [solubility ]
DMF: 2 mg/mL; DMSO: 5 mg/mL; DMSO:PBS (pH 7.2)(1:5): 0.16 mg/mL | [form ]
A crystalline solid | [pka]
12.96±0.20(Predicted) | [color ]
white to beige | [InChI]
1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23) | [InChIKey]
ITLPIAAGIQAGRA-UHFFFAOYSA-N | [SMILES]
CC1=CC(NC(N2CCN(C3=CC=NC=C3)CC2)=S)=NC(C)=C1 |
| Safety Data | Back Directory | [Symbol(GHS) ]
 GHS07 | [Signal word ]
Warning | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Description]
PHGDH-inactive is an inactive analog of the 3-phosphoglycerate dehydrogenase (PHGDH) inhibitors NCT-502 and NCT-503. PHGDH-inactive is intended to serve as a negative control for NCT-502 and NCT-503. | [Uses]
PHGDH-inactive has no activity against PHGDH and serves as a negative control of NCT-502 and NCT-503[1]. | [storage]
4°C, protect from light | [References]
[1] Pacold ME, et al. A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate [published correction appears in Nat Chem Biol. 2016 Jul 19;12 (8):656]. Nat Chem Biol. 2016;12(6):452-458. DOI:10.1038/nchembio.2070 |
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| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|