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Chemical structure of 3-Hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles

GC73085

3-Hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles

Also known as 3-oxo-5-[2-(trifluoromethyl)anilino]-1,2-thiazole-4-carbonitrile

3-droxy-4-carboxyalkylamidino-5-arylamino-isothiazoles is an inhibitor for bone morphogenetic protein 2 (BMP2) with an IC50 of 2·2 μM

ChemicalCAS287196-91-2MW285.25FormulaC11H6F3N3OS
CAS number
287196-91-2
Molecular weight
285.25
Formula
C11H6F3N3OS
Solubility
DMSO ： 250 mg/mL (876·42 mM; Need ultrasonic)
InChIKey
RVAGAHLIJPXBEV-UHFFFAOYSA-N
Catalogue number
GC73085
Brand
GLPBIO
Computed properties PubChem CID 2726567 · XLogP 3 · TPSA 90.2 Ų · H-bond donors 2
XLogP
3
TPSA
90.2 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
19

SMILES C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C(=O)NS2)C#N

Computed descriptors from PubChem (CID 2726567), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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