| Identification | Back Directory | [Name]
CM037 | [CAS]
896795-60-1 | [Synonyms]
A37
CM037
Ethyl 2-[[3,4-dihydro-4-oxo-3-[3-(1-pyrrolidinyl)propyl][1]benzothieno[3,2-d]pyrimidin-2-yl]thio]acetate
Acetic acid, 2-[[3,4-dihydro-4-oxo-3-[3-(1-pyrrolidinyl)propyl][1]benzothieno[3,2-d]pyrimidin-2-yl]thio]-, ethyl ester | [Molecular Formula]
C21H25N3O3S2 | [MOL File]
896795-60-1.mol | [Molecular Weight]
431.57 |
| Chemical Properties | Back Directory | [Melting point ]
>99°C (dec.) | [Boiling point ]
602.5±65.0 °C(Predicted) | [density ]
1.38±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer, Under inert atmosphere | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
10.11±0.20(Predicted) | [color ]
Off-White to Light Beige | [InChI]
1S/C21H25N3O3S2/c1-2-27-17(25)14-28-21-22-18-15-8-3-4-9-16(15)29-19(18)20(26)24(21)13-7-12-23-10-5-6-11-23/h3-4,8-9H,2,5-7,10-14H2,1H3 | [InChIKey]
SKDRHRAYBYQVNU-UHFFFAOYSA-N | [SMILES]
O=C1N(CCCN2CCCC2)C(SCC(OCC)=O)=NC3=C1SC4=CC=CC=C43 |
| Hazard Information | Back Directory | [Uses]
CM037 is a novel selective aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitor, binding within the aldehyde binding pocket of ALDH1A1 in a competitive mode of inhibition. | [Biological Activity]
CM037 is a potent and selective inhibitor of human aldehyde dehydrogenase 1A1 (ALDH1A1). CM037 binds to the aldehyde binding pocket of ALDH1A1. | [IC 50]
ALDH1 | [storage]
Store at +4°C |
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| Company Name: |
BOC Sciences
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| Website: |
https://www.bocsci.com |
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