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Chemical structure of SHIN1

GC32773

SHIN1

Also known as 6-amino-4-[3-(hydroxymethyl)-5-phenylphenyl]-3-methyl-4-propan-2-yl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

SHIN1 (RZ-2994) is a human serine hydroxymethyltransferse 1 and 2 (SHMT1/2) inhibitor with IC50s of 5 and 13 nM, respectively, in an in vitro assay

ChemicalCAS2146095-85-2MW400.47FormulaC24H24N4O2
CAS number
2146095-85-2
Molecular weight
400.47
Formula
C24H24N4O2
Solubility
DMSO ： ≥ 50 mg/mL (124·85 mM)
InChIKey
VVVOFJZXKJKHTD-UHFFFAOYSA-N
Catalogue number
GC32773
Brand
GLPBIO
Computed properties PubChem CID 134335083 · XLogP 4.4 · TPSA 108 Ų · H-bond donors 3
XLogP
4.4
TPSA
108 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES CC1=C2C(=NN1)OC(=C(C2(C3=CC(=CC(=C3)C4=CC=CC=C4)CO)C(C)C)C#N)N

Computed descriptors from PubChem (CID 134335083), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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