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Chemical structure of CM037

GC43285

CM037

Also known as ethyl 2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetate

CM037 is a selective inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1; IC50 = 4·6 μM)

ChemicalCAS896795-60-1MW431.6FormulaC21H25N3O3S2
CAS number
896795-60-1
Molecular weight
431.6
Formula
C21H25N3O3S2
Solubility
DMF： 10 mg/ml,DMF：PBS (pH 7·2); (1：7)： 0·125 mg/ml,DMSO： 2·5 mg/ml
InChIKey
SKDRHRAYBYQVNU-UHFFFAOYSA-N
Catalogue number
GC43285
Brand
GLPBIO
Computed properties PubChem CID 5049161 · XLogP 4.3 · TPSA 116 Ų · H-bond donors 0
XLogP
4.3
TPSA
116 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
29

SMILES CCOC(=O)CSC1=NC2=C(C(=O)N1CCCN3CCCC3)SC4=CC=CC=C42

Computed descriptors from PubChem (CID 5049161), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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