CB2R probe 1

CAT: 0931-T74604-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T74604-02Size:50 mg

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

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CAS Number

2634714-79-5

Target

Cannabinoid Receptor, Others

Related Pathways

GPCR/G Protein, Others

Bioactivity

CB2R Probe 1, a cannabinoid 2 receptor (CB2R) fluorescent probe, exhibits both safety and environmental friendliness, boasting a dissociation constant (K i) of 130 nM. Notably, it demonstrates low cytotoxicity within cancer cells [1].

Smiles

CN(C)c1ccc2C(=O)N(CCCCCCn3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)c(=O)c4ccccc34)C(=O)c2c1

Molecular Formula

C36H42N4O4

Molecular Weight

594.74

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CB2R probe 1

CAS Number	2634714-79-5
PubChem CID	163408893
IUPAC Name	N-(1-adamantyl)-1-[6-[5-(dimethylamino)-1,3-dioxoisoindol-2-yl]hexyl]-4-oxoquinoline-3-carboxamide
Molecular Formula	C36H42N4O4
Molecular Weight	594.7
XLogP	6.1
Topological Polar Surface Area	90
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	44
Formal Charge	0
Complexity	1150

SMILES

CN(C)C1=CC2=C(C=C1)C(=O)N(C2=O)CCCCCCN3C=C(C(=O)C4=CC=CC=C43)C(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C36H42N4O4/c1-38(2)26-11-12-27-29(18-26)35(44)40(34(27)43)14-8-4-3-7-13-39-22-30(32(41)28-9-5-6-10-31(28)39)33(42)37-36-19-23-15-24(20-36)17-25(16-23)21-36/h5-6,9-12,18,22-25H,3-4,7-8,13-17,19-21H2,1-2H3,(H,37,42)

InChIKey

LEAGPELVKSZWJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2634714-79-5

CID: 163408893

Formula: C36H42N4O4

MW: 594.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	594.7
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	594.32060583
Monoisotopic Mass	594.32060583
Topological Polar Surface Area	90 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1150
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

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HY-147532	CB2R probe 1
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HY-175784	CB2R antagonist 4
A12306-50	CB2R-IN-1 50mg
A12306-5	CB2R-IN-1 5mg
GTR19264341-01	CB2R agonist 4
HY-155336	CB2R agonist 2

CB2R probe 1

Chemical Information

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