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MRT-83

CAT: 0804-HY-18287-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-18287-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRT-83 is a potent antagonist of Smo, with an IC50 in the nanomolar range. MRT-83 also blocks Hedgehog (Hh) signaling.
CAS Number
1263131-92-5
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-83.html
Purity
99.27
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
COC1=C(OC)C(OC)=CC(C(NC(NC2=CC(NC(C3=CC=C(C4=CC=CC=C4)C=C3)=O)=C(C)C=C2)=N)=O)=C1
Molecular Formula
C31H30N4O5
Molecular Weight
538.59
Precautions
H302, H315, H319
References & Citations
[1]Roudaut H, et al. Identification and mechanism of action of the acylguanidine MRT-83, a novel potent Smoothened antagonist. Mol Pharmacol. 2011 Mar;79 (3) :453-60.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,4,5-Trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
CAS Number1263131-92-5
PubChem CID136210511
IUPAC Name3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
Molecular FormulaC31H30N4O5
Molecular Weight538.6
XLogP5.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity841
SMILES
CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H30N4O5/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)
InChIKey
BKTMNLKJWHVZRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
CAS: 1263131-92-5
CID: 136210511
Formula: C31H30N4O5
MW: 538.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.6
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass538.22162007
Monoisotopic Mass538.22162007
Topological Polar Surface Area124 Ų
Heavy Atom Count40
Formal Charge0
Complexity841
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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Alternative Products

CatalogName
BA9080-5.1MRT-83
A21020-10MRT-83 10mg
T38767MRT-83 hydrochloride
A21020-200MRT-83 200mg
A21020-25MRT-83 25mg
A21020-100MRT-83 100mg
A21020-50MRT-83 50mg
A21020-2MRT-83 2mg
A21020-5MRT-83 5mg
407238MRT-83 HCl salt

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