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MedKoo Cat#: 562432 | Name: CM037
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

CM037 is a selective aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitor. It acts by binding within the aldehyde binding pocket of ALDH1A1 in a competitive mode of inhibition.

Chemical Structure

CM037
CM037
CAS#896795-60-1

Theoretical Analysis

MedKoo Cat#: 562432

Name: CM037

CAS#: 896795-60-1

Chemical Formula: C21H25N3O3S2

Exact Mass: 431.1337

Molecular Weight: 431.56

Elemental Analysis: C, 58.45; H, 5.84; N, 9.74; O, 11.12; S, 14.86

Price and Availability

Size Price Availability Quantity
5mg USD 300.00 2 Weeks
10mg USD 550.00 2 Weeks
25mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
CM037; CM-037; CM 037; A37; A-37; A 37;
IUPAC/Chemical Name
Ethyl [4-Oxo-3-(3-pyrrolidin-1-yl-propyl)-3,4-dihydro-benzo[4,5]thieno[3,2-d]pyrimidin-2-ylsulfanyl]acetate
InChi Key
SKDRHRAYBYQVNU-UHFFFAOYSA-N
InChi Code
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
SMILES Code
O=C(OCC)CSC1=NC(C2=CC=CC=C2S3)=C3C(N1CCCN4CCCC4)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 431.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Morgan CA, Hurley TD. Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem. 2015 Feb 26;58(4):1964-75. doi: 10.1021/jm501900s. Epub 2015 Feb 10. PubMed PMID: 25634381; PubMed Central PMCID: PMC4344389.