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MedKoo Cat#: 407237 | Name: MRT-92 HCl salt

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

MRT-92 HCl salt
MRT-92 HCl salt
CAS#1428307-52-1 (HCl salt); 1428315-82-5 (free base).

Theoretical Analysis

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

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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.