ChemR23-IN-1

CAT: 0931-T63347-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T63347-01Size:25 mg

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

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CAS Number

2378640-10-7

Target

Others, Chemerin Receptor

Related Pathways

Others, GPCR/G Protein

Bioactivity

ChemR23-IN-1 is a ChemR23 inhibitor that acts on human and mouse ChemR23 with IC50 values of 38 nM and 100 nM, respectively. chemR23-IN-1 is able to block Chemerin-triggered CAL-1 chemotaxis in vitro.

Smiles

N([C@H](C)C1=CC=C(C=C1)C2=C(C=CC=C2)C=3NN=NN3)(CCCC)C4=NC=5C(O4)=CC=C(C(NC)=O)C5

Molecular Formula

C28H29N7O2

Molecular Weight

495.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ChemR23-IN-1

CAS Number	2378640-10-7
PubChem CID	155519352
IUPAC Name	2-[butyl-[(1R)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]amino]-N-methyl-1,3-benzoxazole-5-carboxamide
Molecular Formula	C28H29N7O2
Molecular Weight	495.6
XLogP	5.5
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	37
Formal Charge	0
Complexity	733

SMILES

CCCCN(C1=NC2=C(O1)C=CC(=C2)C(=O)NC)[C@H](C)C3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C28H29N7O2/c1-4-5-16-35(28-30-24-17-21(27(36)29-3)14-15-25(24)37-28)18(2)19-10-12-20(13-11-19)22-8-6-7-9-23(22)26-31-33-34-32-26/h6-15,17-18H,4-5,16H2,1-3H3,(H,29,36)(H,31,32,33,34)/t18-/m1/s1

InChIKey

GZKNEPIIFJDVNG-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 2378640-10-7

CID: 155519352

Formula: C28H29N7O2

MW: 495.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	495.6
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	495.23827319
Monoisotopic Mass	495.23827319
Topological Polar Surface Area	113 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	733
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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Alternative Products

Catalog	Name
BA5267-10	ChemR23-IN-1
HY-145922	ChemR23 ligand-1
310668-01	ChemR23
YP-W10999-01	Human ChemR23 (ChemR23) ELISA Kit
HY-147642	ChemR23-IN-4
387470	ChemR23 discontinued
GTR19212524-01	ChemR23-IN-3
C12193-01	ChemR23 Antibody
GTR19185127-01	ChemR23-IN-2
sc-33726	ChemR23 (BZ332)

ChemR23-IN-1

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