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Chemical structure of SHMT-IN-2

GC65181

SHMT-IN-2

Also known as 6-amino-3-methyl-4-propan-2-yl-4-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

SHMT-IN-2 is a highly selective small-molecule inhibitor of serine hydroxymethyltransferases (SHMTs), exhibiting IC50 values of 13nM for SHMT1 and 66nM for SHMT2

ChemicalCAS2102681-49-0MW431.45FormulaC22H24F3N5O
CAS number
2102681-49-0
Molecular weight
431.45
Formula
C22H24F3N5O
Solubility
DMSO ： 100 mg/mL (231·78 mM; Need ultrasonic)
InChIKey
NOKJZHRLDAOFCV-UHFFFAOYSA-N
Catalogue number
GC65181
Brand
GLPBIO
Computed properties PubChem CID 134335070 · XLogP 5.2 · TPSA 91 Ų · H-bond donors 2
XLogP
5.2
TPSA
91 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
31

SMILES CC1=C2C(=NN1)OC(=C(C2(C3=CC(=CC(=C3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N

Computed descriptors from PubChem (CID 134335070), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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