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MRT 10 - ≥98%, high purity , CAS No.330829-30-6

COA

Grade & Purity:

≥98%

Cas Number: 330829-30-6
Molecular Weight: 465.52
PubChem CID: 1139102
PubChem SID: 488191726

In stock

Item Number

M287792

Grouped product items
SKU	Size	Availability	Price
M287792-5mg	5mg	6	$177.90
M287792-10mg	10mg	5	$276.90
M287792-25mg	25mg	3	$583.90
M287792-50mg	50mg	3	$939.90
M287792-100mg	100mg	3	$1,692.90

Smoothened (Smo) antagonist

View related series

Smo (39) Stem Cell/Wnt (1019)

Basic Description

Synonyms	EX-A7242 \| J-019016 \| MRT-10, >=98% (HPLC) \| MS-28575 \| 3,4,5-trimethoxy-N-({3-[(phenylcarbonyl)amino]phenyl}carbamothioyl)benzamide \| AKOS000619111 \| N-((3-Benzamidophenyl)carbamothioyl)-3,4,5-trimethoxybenzamide \| n-(3-benzamidophenylcarbamothioyl)-3,4,
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Smoothened (Smo) receptor antagonist (IC50= 0.5μM in HEK293 cells transiently expressing mouse Smo). Inhibits ShhN-induced Gli luciferase reporter activity in Shh-light 2 cells (IC50= 2.5μM); acts as an inverse agonist during nontranscriptional Hedgehog p
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product description MRT-10 is a seven-transmembrane receptor smoothened (Smo) antagonist with an IC50 of 0.65 μM in the micromolar range in various Hedgehog (Hh) assays. MRT-10 binds to the Smo receptor at the level of the Bodipycyclopamine binding site. MRT-10 can be used for the research of cancer.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	N-acyl-phenylthioureas Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Thioureas Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - N-acyl-phenylthiourea - N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors	Not available
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)

HT-29 (80576 Activities)

Explore this target

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

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

Shh Sonic hedgehog protein (356 Activities)

Discover Target: Shh

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488191726
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191726
IUPAC Name	N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
INCHI	InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,27,29,33)
InChIKey	KVQVEZQDNHMQJV-UHFFFAOYSA-N
Smiles	COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3
Isomeric SMILES	COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3
Molecular Weight	465.52
Reaxy-Rn	21883721
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21883721&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
E2320674	Certificate of Analysis	Apr 10, 2023	M287792
E2320691	Certificate of Analysis	Apr 10, 2023	M287792
E2320665	Certificate of Analysis	Apr 10, 2023	M287792
E2320670	Certificate of Analysis	Apr 10, 2023	M287792
E2320654	Certificate of Analysis	Apr 10, 2023	M287792
E2320692	Certificate of Analysis	Apr 10, 2023	M287792
E2320683	Certificate of Analysis	Apr 10, 2023	M287792
E2320641	Certificate of Analysis	Apr 10, 2023	M287792
E2320647	Certificate of Analysis	Apr 10, 2023	M287792
E2320684	Certificate of Analysis	Apr 10, 2023	M287792

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 46.55, Max Conc. mM: 100
Molecular Weight	465.500 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	465.136 Da
Monoisotopic Mass	465.136 Da
Topological Polar Surface Area	130.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	658.000
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

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