CAS 155204-81-2

(αS)-7-(Aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate (1:1:5)

Description:

The chemical substance known as (αS)-7-(Aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate (1:1:5), with the CAS number 155204-81-2, is a complex organic compound characterized by its multi-functional structure. It features a naphthalene backbone, which is a polycyclic aromatic hydrocarbon, and incorporates various functional groups, including an amino group and an imino group, contributing to its potential biological activity. The presence of a pyrrolidine ring suggests that it may interact with biological targets, possibly influencing neurotransmitter systems or other physiological pathways. As a hydrochloride salt, it is likely to be more soluble in water, enhancing its bioavailability. The hydrate form indicates that it contains water molecules in its crystalline structure, which can affect its stability and solubility. Overall, this compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific receptors or pathways.

Formula: C₂₆H₂₈N₄O₃·ClH·5H₂O

InChI: InChI=1S/C26H28N4O3.ClH.5H2O/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17;;;;;;/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32);1H;5*1H2/t23-,24-;;;;;;/m0....../s1

InChI key: InChIKey=LJCBAPRMNYSDOP-LVCYMWGESA-N

SMILES: C([C@H](C(O)=O)C1=CC=C(O[C@@H]2CN(C(C)=N)CC2)C=C1)C3=CC4=C(C=C3)C=CC(C(=N)N)=C4.Cl.O

Synonyms:

• (2S)-2-[4-[[(3S)-1-Acetamidoyl-3-pyrrolidinyl]oxy]phenyl]-3-(7-amidino-2-naphthyl)propanoic acid hydrochloride pentahydrate
• (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3S)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid hydrochloride pentahydrate
• (αS)-7-(Aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate (1:1:5)
• 2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-, hydrochloride, hydrate (1:1:5), (αS)-
• 2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-, monohydrochloride, pentahydrate, (αS)-
• 2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-, monohydrochloride, pentahydrate, [S-(R*,R*)]-
• DX-9065a
• (alphaS)-7-(Aminoiminomethyl)-alpha-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate
• DX9065
• LJCBAPRMNYSDOP-LVCYMWGESA-N
• X-9065a
• DX-9065A HCl hydrate
• DX-9065a Hydrochloride Pentahydrate
• DX 9065
• DX 9065A HCl hydrate,DX9065A HCl hydrate

DX-9065a Hydrochloride Pentahydrate

Controlled Product

CAS: 155204-81-2

Formula: C₂₆H₂₈N₄O₃·ClH·5H₂O

Color and Shape: Neat

Molecular weight: 571.063

Ref: TR-D428260

DX-9065A HCl hydrate

CAS: 155204-81-2

DX-9065a: Competitive fXa/prothrombinase inhibitor; blocks proinflammatory events; Ki ~10-20 nM.

Formula: C₂₆H₃₉ClN₄O₈

Purity: 98%

Color and Shape: Solid

Molecular weight: 571.06

Ref: TM-T27224