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BI-6901

CAT: 0013-GTR19191383-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191383-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-6901 is a selective CCR10 antagonist. In a DNFB-induced contact hypersensitivity mouse model, it demonstrates dose-dependent anti-inflammatory activity. This small molecule inhibitor is a valuable research tool for studying CCR10-mediated immune responses in both in vitro and in vivo experimental settings.
CAS Number
2040401-92-9
Product Name Alternative
BI6901, BI-6901, BI 6901, CCR10
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
99.83% (May vary between batches)
Solubility
DMSO:120 mg/mL (264.57 mM) ;10% DMSO+90% Corn Oil:5 mg/mL (11.02 mM)
Smiles
CC1CCN (CC1) C (=O) [C@@H] (CCn1cccc1C#N) NS (=O) (=O) c1cccc2[nH]ccc12
Molecular Formula
C23H27N5O3S
Molecular Weight
453.56
Storage Conditions
-20°C
Notes
For research use only.

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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