SHMT-IN-1

• CAT Number: I017583
• CAS Number: 1508286-18-7
• Molecular Formula: C18H16Cl2N4O
• Molecular Weight: 375.25
• Purity: ≥95%
• Synonyms: 6-amino-4-cyclobutyl-4-(3,5-dichlorophenyl)-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
• InChI: InChI=1S/C18H16Cl2N4O/c1-9-15-17(24-23-9)25-16(22)14(8-21)18(15,10-3-2-4-10)11-5-12(19)7-13(20)6-11/h5-7,10H,2-4,22H2,1H3,(H,23,24)
• InChIKey: SPNNZCKKJSFKKB-UHFFFAOYSA-N
• SMILES: CC1=C2C(=NN1)OC(=C(C2(C3CCC3)C4=CC(=CC(=C4)Cl)Cl)C#N)N

SHMT-IN-1 (compound (±)-46) is a potent inhibitor of plasmodial serine hydroxymethyltransferase (SHMT). SHMT-IN-1 has antitumor activity[1].

Reference

[1]. Witschel MC, et al. Inhibitors of plasmodial serine hydroxymethyltransferase (SHMT): cocrystal structures of pyrazolopyrans with potent blood- and liver-stage activities. J Med Chem. 2015 Apr 9;58(7):3117-30.
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