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L119

Sigma-Aldrich

L-703,606 oxalate salt hydrate

solid

Synonym(s):

cis-2-(Diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine oxalate salt

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About This Item

Empirical Formula (Hill Notation):
C27H29IN2 · C2H2O4 · xH2O
CAS Number:
351351-06-9
Molecular Weight:
598.47 (anhydrous basis)
MDL number:
MFCD11045930
UNSPSC Code:
12352200
PubChem Substance ID:
24278100
NACRES:
NA.77

form

solid

Quality Level

100

storage condition

desiccated

color

white

solubility

DMSO: >10 mg/mL
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 11 mg/mL
H2O: slightly soluble <2 mg/mL

SMILES string

O.OC(=O)C(O)=O.Ic1ccccc1CN[C@@H]2C3CCN(CC3)[C@@H]2C(c4ccccc4)c5ccccc5

InChI

1S/C27H29IN2.C2H2O4.H2O/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3-1(4)2(5)6;/h1-14,22,25-27,29H,15-19H2;(H,3,4)(H,5,6);1H2/t26-,27-;;/m1../s1

InChI key

NJAUFRHNYIJKDW-AJUXDCMMSA-N

Gene Information

human ... TACR1(6869)

Biochem/physiol Actions

Potent and selective non-peptide NK-1 tachykinin receptor antagonist.

Caution

Hygroscopic

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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M A Cascieri et al.
Molecular pharmacology, 42(3), 458-463 (1992-09-01)
We have synthesized a potent, selective, radioiodinated antagonist of the human neurokinin-1 (NK1) receptor and have characterized its binding to the cloned receptor expressed in Chinese hamster ovary cells. (cis)-2-(Diphenylmethyl)-N-[(2-iodophenyl)-methyl]-1- azabicyclo[2.2.2]octan-3-amine (L-703606) inhibits binding of 125I-Tyr8-substance P to the human
T M Fong et al.
The Journal of biological chemistry, 267(36), 25664-25667 (1992-12-25)
To identify the molecular determinants of ligand-receptor interactions, the extracellular domain of the human neurokinin-1 receptor was systematically substituted with the corresponding sequences from the other two neurokinin receptor subtypes. Three residues within the first extracellular segment and 2 residues

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