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MedKoo Cat#: 563307 | Name: ML368
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Description:

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

ML368 is a selective CYP3A4 inhibitor.

Chemical Structure

ML368
ML368
CAS#1361414-26-7

Theoretical Analysis

MedKoo Cat#: 563307

Name: ML368

CAS#: 1361414-26-7

Chemical Formula: C28H19F3N6O3

Exact Mass: 544.1471

Molecular Weight: 544.49

Elemental Analysis: C, 61.77; H, 3.52; F, 10.47; N, 15.43; O, 8.81

Price and Availability

Size Price Availability Quantity
1mg USD 595.00 2 weeks
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Related CAS #
No Data
Synonym
ML368; ML-368; ML 368; SR-9186; SR 9186; SR9186;
IUPAC/Chemical Name
1-(4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl)-3-(4'-cyano-[1,1'-biphenyl]-4-yl)urea 2,2,2-trifluoroacetate
InChi Key
QVPIMUFZZHHAJT-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H18N6O.C2HF3O2/c27-15-17-1-3-18(4-2-17)19-5-9-21(10-6-19)31-26(33)32-22-11-7-20(8-12-22)23-13-14-28-25-24(23)29-16-30-25;3-2(4,5)1(6)7/h1-14,16H,(H,28,29,30)(H2,31,32,33);(H,6,7)
SMILES Code
O=C(NC1=CC=C(C2=C3C(NC=N3)=NC=C2)C=C1)NC4=CC=C(C5=CC=C(C#N)C=C5)C=C4.O=C(O)C(F)(F)F
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
Shelf Life
>3 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
2934.99.03.00
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
SR9186 (ML368) is a potent CYP3A4 inhibitor.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
DMSO 31.3 57.39
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 544.49 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
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Cameron M, Kamenecka T, Madoux F, Chase P, Roush W, Hodder P, Griffin PR. ML368 Identification of Imidazopyridines as Selective Inhibitors of the Cytochrome P450 Enzyme CYP3A4. 2013 Apr 15 [updated 2014 Sep 18]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK179830/ PubMed PMID: 24479199.

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