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SR9186

CAT: 0804-HY-120696-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120696-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR9186 (ML368) is a selective CYP3A4 inhibitor with IC50 values of 9, 4, and 38 nM for Midazolam → 1'-hydroxymidazolam, Testosterone → 6β-hydroxytestosterone, and Vincristine → Vincristine M1, respectively. SR-9186 inhibits the development of hepatic-stage P. falciparum and blocks ivermectin metabolism. SR-9186 can be used in breast cancer research[1][2].
CAS Number
1361414-26-7
Product Name Alternative
ML368
UNSPSC
12352005
Target
Cytochrome P450; Parasite
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/sr9186.html
Purity
98.06
Solubility
DMSO : 31.25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
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
Molecular Formula
C26H18N6O
Molecular Weight
430.46
References & Citations
[1]Xiaohai Li, et al. Discovery of a highly selective CYP3A4 inhibitor suitable for reaction phenotyping studies and differentiation of CYP3A4 and CYP3A5. Drug Metab Dispos. 2012 Sep;40 (9) :1803-9.|[2]Towles JK, et al. Cytochrome P450 3A4 and CYP3A5-Catalyzed Bioactivation of Lapatinib. Drug Metab Dispos. 2016 Oct;44 (10) :1584-97.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP3; Plasmodium

Chemical Information

N-(4'-Cyano[1,1'-biphenyl]-4-yl)-N'-[4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl] Urea
CAS Number1361414-26-7
PubChem CID57391832
IUPAC Name1-[4-(4-cyanophenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
Molecular FormulaC26H18N6O
Molecular Weight430.5
XLogP4.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity697
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=C5C(=NC=C4)N=CN5
InChI
InChI=1S/C26H18N6O/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/h1-14,16H,(H,28,29,30)(H2,31,32,33)
InChIKey
FEDMEJWMCJAMHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4'-Cyano[1,1'-biphenyl]-4-yl)-N'-[4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl] Urea
CAS: 1361414-26-7
CID: 57391832
Formula: C26H18N6O
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass430.15420922
Monoisotopic Mass430.15420922
Topological Polar Surface Area106 Ų
Heavy Atom Count33
Formal Charge0
Complexity697
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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CatalogName
BA2179-1SR9186

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