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SML2699

Sigma-Aldrich

SHMT inhibitor Hit 1

≥98% (HPLC)

Synonym(s):

4,4′-[2,4-Pyrimidinediylbis(4,1-phenyleneimino)]bis[4-oxo-butanoic acid

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About This Item

Empirical Formula (Hill Notation):
C24H22N4O6
CAS Number:
330638-43-2
Molecular Weight:
462.45
UNSPSC Code:
12352200
NACRES:
NA.77
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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(NC1=CC=C(C2=NC=CC(C3=CC=C(C=C3)NC(CCC(O)=O)=O)=N2)C=C1)CCC(O)=O

InChI

1S/C24H22N4O6/c29-20(9-11-22(31)32)26-17-5-1-15(2-6-17)19-13-14-25-24(28-19)16-3-7-18(8-4-16)27-21(30)10-12-23(33)34/h1-8,13-14H,9-12H2,(H,26,29)(H,27,30)(H,31,32)(H,33,34)

InChI key

LZRQXDAEFLBXCL-UHFFFAOYSA-N

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SHMT inhibitor Hit 1 ≥98% (HPLC)

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AP20187

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

form

powder

form

powder

form

powder

form

powder

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

−20°C

solubility

DMSO: 2 mg/mL, clear

solubility

DMSO: 25 mg/mL, clear

solubility

H2O: 5 mg/mL, clear (warmed)

solubility

DMSO: 2 mg/mL, clear

color

white to beige

color

white to beige

color

white to beige

color

white to beige

Biochem/physiol Actions

Inhibition of serine/glycine synthesis by SHMT inhibitors can be an effective strategy to treat serine/glycine synthesis-dependent cancers.[1] Therefore, SHMT inhibitor can be a potential cancer drug target.[2] SHMT inhibitor Hit 1 may inhibit SHMT with an IC50 of 0.53 μM.[2]
SHMT inhibitor Hit 1 is a potent and specific inhibitor of serine hydroxymethyltransferase (SHMT). SHMT inhibitor Hit 1 potently inhibits SHMT1 and SHMT2 in rat liver homogenate.
potent and specific inhibitor of serine hydroxymethyltransferase (SHMT)

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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    Shauni Lien Geeraerts et al.
    Molecular cancer therapeutics, 20(1), 50-63 (2020-11-19)
    Metabolic rewiring is a hallmark of cancer that supports tumor growth, survival, and chemotherapy resistance. Although normal cells often rely on extracellular serine and glycine supply, a significant subset of cancers becomes addicted to intracellular serine/glycine synthesis, offering an attractive

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