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

CAS: 300833-95-8 Cat. No.: G275761 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=

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