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CM037

CAT: 0013-GTR19200452-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19200452-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CM037 (A-37) is a potent and selective ALDH1A1 inhibitor with an IC50 of 4.6 μM. This compound exhibits antitumor activity and is a useful research tool for investigating gynecologic cancers, including in studies of cancer stem cell function and chemoresistance in vitro.
CAS Number
896795-60-1
Product Name Alternative
CM 037, CM037, CM-037, A37, A-37, A 37, ALDH1A1
Field of Research
Metabolism Research
Purity
99.34% (May vary between batches)
Solubility
DMSO:10 mg/mL (23.17 mM)
Smiles
CCOC (=O) CSc1nc2c3ccccc3sc2c (=O) n1CCCN1CCCC1
Molecular Formula
C21H25N3O3S2
Molecular Weight
431.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl ({4-Oxo-3-[3-(Pyrrolidin-1-Yl)propyl]-3,4-Dihydro[1]benzothieno[3,2-D]pyrimidin-2-Yl}sulfanyl)acetate
CAS Number896795-60-1
PubChem CID5049161
IUPAC Nameethyl 2-[[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetate
Molecular FormulaC21H25N3O3S2
Molecular Weight431.6
XLogP4.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity639
SMILES
CCOC(=O)CSC1=NC2=C(C(=O)N1CCCN3CCCC3)SC4=CC=CC=C42
InChI
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
Chemical Structure
2D Structure
2D structure of Ethyl ({4-Oxo-3-[3-(Pyrrolidin-1-Yl)propyl]-3,4-Dihydro[1]benzothieno[3,2-D]pyrimidin-2-Yl}sulfanyl)acetate
CAS: 896795-60-1
CID: 5049161
Formula: C21H25N3O3S2
MW: 431.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.6
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass431.13373402
Monoisotopic Mass431.13373402
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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