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Merck
CN

SML1359

CM037

≥97% (HPLC)

Synonym(s):

2-[[3,4-Dihydro-4-oxo-3-[3-(1-pyrrolidinyl)propyl][1]benzothieno[3,2-d]pyrimidin-2-yl]thio]-acetic acid ethyl ester, A37, Ethyl 2-((4-oxo-3-(3-(pyrrolidin-1-yl)propyl)-3,4-dihydrobenzo[4,5]thieno[3,2-d]pyrimidin-2-yl)thio)acetate

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About This Item

Empirical Formula (Hill Notation):
C21H25N3O3S2
CAS Number:
896795-60-1
Molecular Weight:
431.57
UNSPSC Code:
12352200
PubChem Substance ID:
329825814
NACRES:
NA.77

Key Documents

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SMILES string

O=C1N(CCCN2CCCC2)C(SCC(OCC)=O)=NC3=C1SC4=CC=CC=C43

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

InChI key

SKDRHRAYBYQVNU-UHFFFAOYSA-N

assay

≥97% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 10 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

CM037 is a potent and selective inhibitor of human aldehyde dehydrogenase 1A1 (ALDH1A1). CM037 binds to the aldehyde binding pocket of ALDH1A1.
CM037 is a potent and selective inhibitor of human aldehyde dehydrogenase 1A1.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000139055
095M4610V

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