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(S) -BI 665915

CAT: 0804-HY-12995ASize: 1 EachDry Ice: NoHazardous: No
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Description
(S) -BI 665915 is an orally active oxadiazole-containing 5-lipoxygenase-activating protein (FLAP) inhibitor with an IC50 of 1.7 nM for FLAP binding. (S) -BI 665915 inhibits FLAP functional in human whole blood with an IC50 of 45 nM. (S) -BI 665915 demonstrates an excellent cross-species agent metabolism and pharmacokinetics (DMPK) profile and a dose-dependent inhibition of LTB4 production[1].
CAS Number
1360550-05-5
UNSPSC
12352005
Target
FLAP
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/s-bi-665915.html
Solubility
10 mM in DMSO
Smiles
O=C(N(C)C)CN1N=CC(C2=NC([C@@](C3CC3)(C4=CC=C(C5=CN=C(N)N=C5)C=C4)C)=NO2)=C1
Molecular Formula
C24H26N8O2
Molecular Weight
458.52
References & Citations
[1]Takahashi H, et al. Synthesis, SAR, and series evolution of novel oxadiazole-containing 5-lipoxygenase activating protein inhibitors: discovery of 2-[4- (3-{ (r) -1-[4- (2-amino-pyrimidin-5-yl) -phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl) -pyrazol-1-yl]-N, N-dimethyl-acetamide (BI 665915) . J Med Chem. 2015 Feb 26;58 (4) :1669-90.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 68050136
CAS Number1360550-05-5
PubChem CID68050136
IUPAC Name2-[4-[3-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
Molecular FormulaC24H26N8O2
Molecular Weight458.5
XLogP2.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity705
SMILES
C[C@](C1CC1)(C2=CC=C(C=C2)C3=CN=C(N=C3)N)C4=NOC(=N4)C5=CN(N=C5)CC(=O)N(C)C
InChI
InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m1/s1
InChIKey
QGPXEIMWTKWHMH-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of CID 68050136
CAS: 1360550-05-5
CID: 68050136
Formula: C24H26N8O2
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass458.21787210
Monoisotopic Mass458.21787210
Topological Polar Surface Area129 Ų
Heavy Atom Count34
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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