ML372 - ≥99% , CAS No.1331745-61-9

CAS: 1331745-61-9 Cat. No.: M648249 Formula: C₁₈H₂₀N₂O₄S Molecular Weight: 360.43 PubChem CID: 46907666

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ML372 inhibits survival motor neuron ( SMN ) protein ubiquitination, increases SMN protein stability without affecting mRNA expression. ML372 improves spinal muscular atrophy (SMA) in mice. ML372 is brain penetrant and has a reasonable exposure and half-life in vivo.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

ML372 inhibits survival motor neuron ( SMN ) protein ubiquitination, increases SMN protein stability without affecting mRNA expression. ML372 improves spinal muscular atrophy (SMA) in mice. ML372 is brain penetrant and has a reasonable exposure and half-l

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

MODULATOR

Purity

≥99%

Names and Identifiers

Canonical Smiles

C1COC2=C(C=C(C=C2)C3=CN=C(S3)N4CCC(CC4)C(=O)O)OC1

IUPAC Name

1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

InChIKey

HAVNRFQWAXTDTI-UHFFFAOYSA-N

INCHI

1S/C18H20N2O4S/c21-17(22)12-4-6-20(7-5-12)18-19-11-16(25-18)13-2-3-14-15(10-13)24-9-1-8-23-14/h2-3,10-12H,1,4-9H2,(H,21,22)

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CN=C(S3)N4CCC(CC4)C(=O)O)OC1

PubChem CID

46907666

Molecular Weight

360.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Dialkylarylamines Alkyl aryl ethers 2,5-disubstituted thiazoles Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Piperidinecarboxylic acid - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

Caco-2 (12174 Activities)

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Liver (3974 Activities)

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Associated Targets(non-human)

Luciferase (58 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 33.33 mg/mL (92.47 mM; ultrasonic and warming and heat to 60°C)

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1331745-61-9, the molecular formula is C18H20N2O4S, and the molecular weight is 360.43 g/mol. InChIKey HAVNRFQWAXTDTI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.