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MRT-14

CAT: 0804-HY-145918-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145918-04Size:100 mg
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Description
MRT-14 is a potent antagonist of Smo. Smo is the major component involved in signal transduction of the Hedgehog (Hh) morphogens. MRT-14 has the potential for the research of several types of cancers linked to abnormal Hh signaling[1].
CAS Number
1263131-83-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Smo
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mrt-14.html
Purity
98.91
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CC=C1)NC2=CC=CC(NC(NC(C3=CC(OC)=C(C(OC)=C3)OC)=O)=N)=C2
Molecular Formula
C24H24N4O5
Molecular Weight
448.47
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Manetti F, et al. Virtual screening-based discovery and mechanistic characterization of the acylthiourea MRT-10 family as smoothened antagonists. Mol Pharmacol. 2010;78 (4) :658-665.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(N-(3-Benzamidophenyl)carbamimidoyl)-3,4,5-trimethoxybenzamide
CAS Number1263131-83-4
PubChem CID136210502
IUPAC NameN-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
Molecular FormulaC24H24N4O5
Molecular Weight448.5
XLogP3.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity668
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C24H24N4O5/c1-31-19-12-16(13-20(32-2)21(19)33-3)23(30)28-24(25)27-18-11-7-10-17(14-18)26-22(29)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,26,29)(H3,25,27,28,30)
InChIKey
CIWMWTKJZQOXBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(N-(3-Benzamidophenyl)carbamimidoyl)-3,4,5-trimethoxybenzamide
CAS: 1263131-83-4
CID: 136210502
Formula: C24H24N4O5
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass448.17466988
Monoisotopic Mass448.17466988
Topological Polar Surface Area124 Ų
Heavy Atom Count33
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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