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Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

L119-5MG:4548173200675
L119-VAR:
L119-BULK:
L119-25MG:4548173200668

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Certificates of Analysis (COA)

Lot/Batch Number
129K4725V
078K47152
078K47151
078K4715
057K4623

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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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