ELN441958
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MedKoo CAT#: 527878

CAS#: 913064-47-8

Description: ELN441958 is a novel bradykinin B1 Receptor antagonist. ELN441958 competitively inhibited the binding of the B(1) agonist ligand [(3)H]desArg(10)-kallidin ([(3)H]DAKD) to IMR-90 human fibroblast membranes with high affinity (K(i) = 0.26 +/- 0.02 nM). ELN441958 potently antagonized DAKD (but not bradykinin)-induced calcium mobilization in IMR-90 cells, indicating that it is highly selective for B(1) over B(2) receptors. Antagonism of agonist-induced calcium responses at B(1) receptors from different species indicated that ELN441958 is selective for primate over rodent B(1) receptors with a rank order potency (K(B), nanomolar) of human (0.12 +/- 0.02) approximately rhesus monkey (0.24 +/- 0.01) > rat (1.5 +/- 0.4) > mouse (14 +/- 4).


Chemical Structure

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ELN441958
CAS# 913064-47-8

Theoretical Analysis

MedKoo Cat#: 527878
Name: ELN441958
CAS#: 913064-47-8
Chemical Formula: C29H29ClN4O2
Exact Mass: 500.1979
Molecular Weight: 501.027
Elemental Analysis: C, 69.52; H, 5.83; Cl, 7.08; N, 11.18; O, 6.39

Price and Availability

Size Price Availability Quantity
25.0mg USD 450.0 2 Weeks
50.0mg USD 750.0 2 Weeks
100.0mg USD 1250.0 2 Weeks
200.0mg USD 1950.0 2 Weeks
500.0mg USD 3250.0 2 Weeks
1.0g USD 4950.0 2 Weeks
2.0g USD 7950.0 2 Weeks
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Related CAS #: 913064-47-8    

Synonym: ELN441958; ELN 441958; ELN-441958

IUPAC/Chemical Name: 7-Chloro-2-[3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]-3H-isoindol-1-one

InChi Key: ARYQHSWJGHCGJS-UHFFFAOYSA-N

InChi Code: InChI=1S/C29H29ClN4O2/c30-25-6-2-4-22-20-34(28(36)26(22)25)24-5-1-3-21(19-24)27(35)33-17-11-29(12-18-33)9-15-32(16-10-29)23-7-13-31-14-8-23/h1-8,13-14,19H,9-12,15-18,20H2

SMILES Code: O=C1N(C2=CC=CC(C(N3CCC4(CCN(C5=CC=NC=C5)CC4)CC3)=O)=C2)CC6=C1C(Cl)=CC=C6

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 501.027 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Hawkinson JE, Szoke BG, Garofalo AW, Hom DS, Zhang H, Dreyer M, Fukuda JY, Chen L, Samant B, Simmonds S, Zeitz KP, Wadsworth A, Liao A, Chavez RA, Zmolek W, Ruslim L, Bova MP, Holcomb R, Butelman ER, Ko MC, Malmberg AB. Pharmacological, pharmacokinetic, and primate analgesic efficacy profile of the novel bradykinin B1 Receptor antagonist ELN441958. J Pharmacol Exp Ther. 2007 Aug;322(2):619-30. Epub 2007 Apr 30. PubMed PMID: 17470643.