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BI 6901

CAT: 1410-M13172-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M13172-01Size:1 Each
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Description
BI 6901 is a potent, selective CCR10 antagonist with Aequorin Ca2+ flux pIC50 of 9.0.
CAS Number
2040401-92-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
453.561
Molecular Formula
C23H27N5O3S
Notes
Research use only, not for human use.
Receptor
Chemokine Receptor

Chemical Information

BI-6901
CAS Number2040401-92-9
PubChem CID131801164
IUPAC NameN-[(2R)-4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
Molecular FormulaC23H27N5O3S
Molecular Weight453.6
XLogP2.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity811
SMILES
CC1CCN(CC1)C(=O)[C@@H](CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4
InChI
InChI=1S/C23H27N5O3S/c1-17-8-13-28(14-9-17)23(29)21(10-15-27-12-3-4-18(27)16-24)26-32(30,31)22-6-2-5-20-19(22)7-11-25-20/h2-7,11-12,17,21,25-26H,8-10,13-15H2,1H3/t21-/m1/s1
InChIKey
BRJXJOWXAFLRTE-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of BI-6901
CAS: 2040401-92-9
CID: 131801164
Formula: C23H27N5O3S
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass453.18346091
Monoisotopic Mass453.18346091
Topological Polar Surface Area119 Ų
Heavy Atom Count32
Formal Charge0
Complexity811
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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