GSA10 - Moligand™, ≥96% , Allosteric modulator of SMO, CAS No.300833-95-8, Allosteric modulator of SMO

CAS: 300833-95-8 Cat. No.: G275761 Formula: C₂₆H₃₀N₂O₅ Molecular Weight: 450.53 EC Number: 808-811-9

GRADE & PURITY Moligand™, ≥96%

Synonyms

AS-16537 | AKOS000624567 | GTPL10326 | GSA 10; GSA-10 | J-017772 | STK034810 | 4-[[(1-Hexyl-1,2-dihydro-2-oxo-3-quinolinyl)carbonyl]amino]benzoic acid propyl ester | F82046 | AG-690/11765216 | propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]b

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Shipped at room temperature. Store at -20°C.

Specifications

Synonyms

AS-16537 | AKOS000624567 | GTPL10326 | GSA 10; GSA-10 | J-017772 | STK034810 | 4-[[(1-Hexyl-1,2-dihydro-2-oxo-3-quinolinyl)carbonyl]amino]benzoic acid propyl ester | F82046 | AG-690/11765216 | propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]b

Specifications & Purity

Moligand™, ≥96%

Biochemical and Physiological Mechanisms

A novel small-molecule Smo receptor agonist. Does not recognize the classic cyclopamine binding site.\xa0May have therapeutic interests in regenerative medicine.

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.

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of SMO

Note

Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%

Names and Identifiers

Canonical Smiles

CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OCCC)O

IUPAC Name

propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate

InChIKey

MDLUYYGRCGDKGL-UHFFFAOYSA-N

INCHI

1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OCCC)O

Alternate CAS

300833-95-8

Molecular Weight

450.53

Reaxy-Rn

23682377

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23682377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Quinoline-3-carboxamides Hydroxyquinolines Hydroquinolones Hydroquinolines Benzoic acid esters Pyridinecarboxylic acids and derivatives Benzoyl derivatives Pyridinones Hydroxypyridines Vinylogous amides Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Quinoline-3-carboxamide - Hydroxyquinoline - Dihydroquinolone - Quinoline - Dihydroquinoline - Benzoate ester - Pyridine carboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Hydroxypyridine - Pyridinone - Pyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Secondary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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)

SMO Tclin Smoothened homolog (1 Activities)

Discover Target: SMO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SMO Tclin Smoothened homolog (1371 Activities)

Discover Target: SMO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

C3H 10T1/2 (488 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 5 mM warming
• Molecular Weight: 450.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 450.215 Da
• Monoisotopic Mass: 450.215 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 726.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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 300833-95-8, the molecular formula is C26H30N2O5, and the molecular weight is 450.53 g/mol. InChIKey MDLUYYGRCGDKGL-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.