WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407237
CAS#: 1428307-52-1 (HCl salt); 1428315-82-5 (free base).
Description: MRT-92 is a potent and selective Smoothened (Smo) receptor inhibitor. MRT-92 displays subnanomolar antagonist activity against Smo in various Hh cell-based assays. MRT-92 inhibits rodent cerebellar granule cell proliferation induced by Hh pathway activation through pharmacologic (half maximal inhibitory concentration [IC50] = 0.4 nM) or genetic manipulation. Smo is the target of anticancer drugs that bind to a long and narrow cavity in the 7-transmembrane (7TM) domain.
MedKoo Cat#: 407237
Name: MRT-92 HCl salt
CAS#: 1428307-52-1 (HCl salt); 1428315-82-5 (free base).
Chemical Formula: C33H35ClN4O5
Exact Mass:
Molecular Weight: 603.12
Elemental Analysis: C, 65.72; H, 5.85; Cl, 5.88; N, 9.29; O, 13.26
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Synonym: MRT-92; MRT 92; MRT92.
IUPAC/Chemical Name: 3,4,5-trimethoxy-N-(N-(4-methyl-3-(4-phenethylbenzamido)phenyl)carbamimidoyl)benzamide hydrochloride
InChi Key: HZKNRYIBMQZAOK-UHFFFAOYSA-N
InChi Code: InChI=1S/C33H34N4O5.ClH/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22;/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39);1H
SMILES Code: O=C(NC(NC1=CC=C(C)C(NC(C2=CC=C(CCC3=CC=CC=C3)C=C2)=O)=C1)=N)C4=CC(OC)=C(OC)C(OC)=C4.[H]Cl
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 603.12 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Hoch L, Faure H, Roudaut H, Schoenfelder A, Mann A, Girard N, Bihannic L,
Ayrault O, Petricci E, Taddei M, Rognan D, Ruat M. MRT-92 inhibits Hedgehog
signaling by blocking overlapping binding sites in the transmembrane domain of
the Smoothened receptor. FASEB J. 2015 May;29(5):1817-29. doi:
10.1096/fj.14-267849. Epub 2015 Jan 30. PubMed PMID: 25636740; PubMed Central
PMCID: PMC4415011.
2: Tian X, Li P, Wang H, Bian B, Du S, Yang J. [Pharmacokinetics and
bioavailabilities of geniposide in Beagle dogs after oral administration
Xingnaojing]. Zhongguo Zhong Yao Za Zhi. 2012 Aug;37(16):2461-4. Chinese. PubMed
PMID: 23234150.
3: Schulz HU, Düsing R, Grunwald F, Czaja J, Lührmann B, Frecks HJ.
Investigations into the relative bioavailability of carbamazepine after single
oral administration of three test batches of a carbamazepine-containing sustained
release formulation in healthy subjects. Int J Clin Pharmacol Ther Toxicol. 1992
Apr;30(4):139-44. PubMed PMID: 1572759.
