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CYP11B2-IN-1

CAT: 1410-M26133-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M26133-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CYP11B2-IN-1 is a CYP11B2 inhibitor with IC50 of 2.3 nM. CYP11B2-IN-1 inhibits CYP11B1 with IC50 of 142 nM.
CAS Number
1356479-78-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
311.36
Molecular Formula
C18H18FN3O
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cyp11B2-IN-1
CAS Number1356479-78-1
PubChem CID56645363
IUPAC Name2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-pyridinyl]propan-2-ol
Molecular FormulaC18H18FN3O
Molecular Weight311.4
XLogP2.3
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity442
SMILES
CC(C)(C1=CN=CC(=C1)C2=NC3=C(N2C4CC4)C=C(C=C3)F)O
InChI
InChI=1S/C18H18FN3O/c1-18(2,23)12-7-11(9-20-10-12)17-21-15-6-3-13(19)8-16(15)22(17)14-4-5-14/h3,6-10,14,23H,4-5H2,1-2H3
InChIKey
OAMLIJKKGZLNHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyp11B2-IN-1
CAS: 1356479-78-1
CID: 56645363
Formula: C18H18FN3O
MW: 311.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass311.14339037
Monoisotopic Mass311.14339037
Topological Polar Surface Area50.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity442
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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