Etalocib sodium

CAT: 0931-T201014-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T201014-01Size:25 mg

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CAS Number

152608-41-8

Target

Apoptosis, Leukotriene Receptor

Related Pathways

GPCR/G Protein, Apoptosis

Bioactivity

Etalocib (LY293111) sodium is an orally active leukotriene B4 (LTB4) receptor antagonist with a Ki value of 25 nM for inhibiting [3H]LTB4 binding. It exhibits an IC50 of 20 nM against LTB4-induced calcium mobilization. Additionally, Etalocib sodium can induce apoptosis.

Smiles

O=C(C1=C(OC2=CC=CC(OCCCOC3=C(CC)C=C(C4=CC=C(F)C=C4)C(O)=C3)=C2CCC)C=CC=C1)[O-].[Na+]

Molecular Formula

C33H32FNaO6

Molecular Weight

566.59

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Etalocib sodium

CAS Number	152608-41-8
PubChem CID	23663993
IUPAC Name	sodium 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoate
Molecular Formula	C33H32FNaO6
Molecular Weight	566.6
Topological Polar Surface Area	88.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Heavy Atom Count	41
Formal Charge	0
Complexity	749

SMILES

CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)[O-])OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)O.[Na+]

InChI

InChI=1S/C33H33FO6.Na/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23;/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37);/q;+1/p-1

InChIKey

GKDIMGQSBSDJNC-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 152608-41-8

CID: 23663993

Formula: C33H32FNaO6

MW: 566.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	566.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	566.20806118
Monoisotopic Mass	566.20806118
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	749
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	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19239779-01	Etalocib sodium
HY-13628A	Etalocib (sodium)
BUP08070-01	Etalocib
HY-13628R-01	Etalocib (Standard)
A22473-10	Etalocib (LY293111) 10mg
A22473-5	Etalocib (LY293111) 5mg
A22473-50	Etalocib (LY293111) 50mg
A22473-200	Etalocib (LY293111) 200mg
A22473-100	Etalocib (LY293111) 100mg
A22473-1	Etalocib (LY293111) 1mg

Etalocib sodium

Chemical Information

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