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MedKoo Cat#: 561460 | Name: PHGDH-inactive
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

PHGDH-inactive
PHGDH-inactive
CAS#1914971-16-6

Theoretical Analysis

MedKoo Cat#: 561460

Name: PHGDH-inactive

CAS#: 1914971-16-6

Chemical Formula: C17H21N5S

Exact Mass: 327.1518

Molecular Weight: 327.45

Elemental Analysis: C, 62.36; H, 6.46; N, 21.39; S, 9.79

Price and Availability

Size Price Availability Quantity
5mg USD 230.00
25mg USD 570.00
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Related CAS #
No Data
Synonym
PHGDH-inactive; PHGDH inactive; PHGDHinactive;
IUPAC/Chemical Name
N-(4,6-Dimethylpyridin-2-yl)-4-pyridin-4-ylpiperazine-1-carbothioamide
InChi Key
ITLPIAAGIQAGRA-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
S=C(N1CCN(C2=CC=NC=C2)CC1)NC3=NC(C)=CC(C)=C3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
PHGDH-inactive has no activity against PHGDH and serves as a negative control of NCT-502 and NCT-503.
In vitro activity:
The small-molecule inhibitor of phosphoglycerate dehydrogenase, NCT-503, reduces incorporation of glucose-derived carbons into serine in vitro. NCT-503 treatment strongly reduced synthesis of glucose-derived citrate in all cell models investigated compared to the inactive drug control and independent of PHGDH expression level. Incorporation of glucose-derived carbons entering the TCA cycle via pyruvate carboxylase was enhanced by NCT-503 treatment. Reference: J Enzyme Inhib Med Chem. 2021 Dec;36(1):1282-1289. https://pubmed.ncbi.nlm.nih.gov/34192988/
In vivo activity:
Thereafter, the influence of NCT-502 on cell proliferation of the subcutaneous xenograft model was assessed. For this, NCT-502 or vehicle control (PBS) was injected intratumorally every three days after tumor injection, and then subcutaneous xenografts were peeled off after 4 weeks. The results showed that the xenografts in the NCT-502-injected group were significantly smaller compared to those displayed by the vehicle group (Figure 5B-D). Reference: Int J Biol Sci. 2022 Aug 29;18(14):5459-5474. https://pubmed.ncbi.nlm.nih.gov/36147463/
Solvent mg/mL mM comments
Solubility
DMF 2.0 6.11
DMSO 44.2 134.88
DMSO:PBS (pH 7.2) (1:5) 0.2 0.49
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 327.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Arlt B, Mastrobuoni G, Wuenschel J, Astrahantseff K, Eggert A, Kempa S, Deubzer HE. Inhibiting PHGDH with NCT-503 reroutes glucose-derived carbons into the TCA cycle, independently of its on-target effect. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1282-1289. doi: 10.1080/14756366.2021.1935917. PMID: 34192988; PMCID: PMC8253182. 2. Issaq SH, Mendoza A, Kidner R, Rosales TI, Duveau DY, Heske CM, Rohde JM, Boxer MB, Thomas CJ, DeBerardinis RJ, Helman LJ. EWS-FLI1-regulated Serine Synthesis and Exogenous Serine are Necessary for Ewing Sarcoma Cellular Proliferation and Tumor Growth. Mol Cancer Ther. 2020 Jul;19(7):1520-1529. doi: 10.1158/1535-7163.MCT-19-0748. Epub 2020 May 5. PMID: 32371575; PMCID: PMC7335326. 3. Shen L, Zhang J, Zheng Z, Yang F, Liu S, Wu Y, Chen Y, Xu T, Mao S, Yan Y, Li W, Zhang W, Yao X. PHGDH Inhibits Ferroptosis and Promotes Malignant Progression by Upregulating SLC7A11 in Bladder Cancer. Int J Biol Sci. 2022 Aug 29;18(14):5459-5474. doi: 10.7150/ijbs.74546. PMID: 36147463; PMCID: PMC9461664. 4. Pacold ME, Brimacombe KR, Chan SH, Rohde JM, Lewis CA, Swier LJ, Possemato R, Chen WW, Sullivan LB, Fiske BP, Cho S, Freinkman E, Birsoy K, Abu-Remaileh M, Shaul YD, Liu CM, Zhou M, Koh MJ, Chung H, Davidson SM, Luengo A, Wang AQ, Xu X, Yasgar A, Liu L, Rai G, Westover KD, Vander Heiden MG, Shen M, Gray NS, Boxer MB, Sabatini DM. A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate. Nat Chem Biol. 2016 Jun;12(6):452-8. doi: 10.1038/nchembio.2070. Epub 2016 Apr 25. Erratum in: Nat Chem Biol. 2016 Jul 19;12 (8):656. PMID: 27110680; PMCID: PMC4871733.
In vitro protocol:
1. Arlt B, Mastrobuoni G, Wuenschel J, Astrahantseff K, Eggert A, Kempa S, Deubzer HE. Inhibiting PHGDH with NCT-503 reroutes glucose-derived carbons into the TCA cycle, independently of its on-target effect. J Enzyme Inhib Med Chem. 2021 Dec;36(1):1282-1289. doi: 10.1080/14756366.2021.1935917. PMID: 34192988; PMCID: PMC8253182. 2. Issaq SH, Mendoza A, Kidner R, Rosales TI, Duveau DY, Heske CM, Rohde JM, Boxer MB, Thomas CJ, DeBerardinis RJ, Helman LJ. EWS-FLI1-regulated Serine Synthesis and Exogenous Serine are Necessary for Ewing Sarcoma Cellular Proliferation and Tumor Growth. Mol Cancer Ther. 2020 Jul;19(7):1520-1529. doi: 10.1158/1535-7163.MCT-19-0748. Epub 2020 May 5. PMID: 32371575; PMCID: PMC7335326.
In vivo protocol:
1. Shen L, Zhang J, Zheng Z, Yang F, Liu S, Wu Y, Chen Y, Xu T, Mao S, Yan Y, Li W, Zhang W, Yao X. PHGDH Inhibits Ferroptosis and Promotes Malignant Progression by Upregulating SLC7A11 in Bladder Cancer. Int J Biol Sci. 2022 Aug 29;18(14):5459-5474. doi: 10.7150/ijbs.74546. PMID: 36147463; PMCID: PMC9461664. 2. Pacold ME, Brimacombe KR, Chan SH, Rohde JM, Lewis CA, Swier LJ, Possemato R, Chen WW, Sullivan LB, Fiske BP, Cho S, Freinkman E, Birsoy K, Abu-Remaileh M, Shaul YD, Liu CM, Zhou M, Koh MJ, Chung H, Davidson SM, Luengo A, Wang AQ, Xu X, Yasgar A, Liu L, Rai G, Westover KD, Vander Heiden MG, Shen M, Gray NS, Boxer MB, Sabatini DM. A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate. Nat Chem Biol. 2016 Jun;12(6):452-8. doi: 10.1038/nchembio.2070. Epub 2016 Apr 25. Erratum in: Nat Chem Biol. 2016 Jul 19;12 (8):656. PMID: 27110680; PMCID: PMC4871733.
1: Pacold, M.E.,Brimacombe, K.R.,Chan, S.H., et al. A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate. Nature Chemical Biology 12(6), 452-458 (2016).