Bodilisant

CAT: 0931-T25169-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T25169-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1416130-06-7

Target

Others, Histamine Receptor

Related Pathways

Immunology/Inflammation, Neuroscience, GPCR/G Protein, Others

Bioactivity

Bodilisant is a hH3R ligand with affinity in the nanomolar concentration range that made from a piperidine-based lead structure for the human histamine H3 receptor (hH3R) with the BODIPY fluorophore.

Smiles

CC1=CC(C)=C2[N-]1[B+3]([F-])([F-])[N]1=C(C)C=C(C)C1=C2c1ccc(OCCCN2CCCCC2)cc1 |c:4,11,18,t:1,14,^1:6,10|

Molecular Formula

C27H34BF2N3O

Molecular Weight

465.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Bodilisant

CAS Number	1416130-06-7
PubChem CID	71528209
IUPAC Name	2,2-difluoro-4,6,10,12-tetramethyl-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Molecular Formula	C27H34BF2N3O
Molecular Weight	465.4
Topological Polar Surface Area	20.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	829

SMILES

[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=C(C=C4)OCCCN5CCCCC5)C)C)(F)F

InChI

InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3

InChIKey

HPRWHXGAJGUOCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1416130-06-7

CID: 71528209

Formula: C27H34BF2N3O

MW: 465.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	465.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	465.2762992
Monoisotopic Mass	465.2762992
Topological Polar Surface Area	20.4 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	829
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-121364	Bodilisant

Bodilisant

Chemical Information

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