CAS 126766-32-3

methyl 4-[(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate (2E)-but-2-enedioate

Description:

Methyl 4-[(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate (2E)-but-2-enedioate, identified by CAS number 126766-32-3, is a synthetic organic compound characterized by its complex molecular structure, which includes a piperazine ring, a pyrrolidine moiety, and a dichlorophenyl group. This compound typically exhibits properties associated with its functional groups, such as potential solubility in organic solvents and moderate stability under standard conditions. The presence of the piperazine and pyrrolidine rings suggests possible biological activity, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Its structure indicates potential interactions with biological targets, which may lead to various pharmacological effects. Additionally, the compound's synthesis involves multiple steps, highlighting its complexity and the need for careful handling in laboratory settings. As with many synthetic compounds, safety data and handling precautions are essential due to potential toxicity or reactivity.

Formula: C₁₉H₂₅Cl₂N₃O₃·C₄H₄O₄

InChI: InChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChI key: InChIKey=ABTNETSDXZBJTE-WLHGVMLRSA-N

SMILES: C(CC1=CC(Cl)=C(Cl)C=C1)(=O)N2C(CN3CCCC3)CN(C(OC)=O)CC2.C(=C/C(O)=O)\C(O)=O

Synonyms:

• 1-Piperazinecarboxylic acid, 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)
• 1-Piperazinecarboxylic acid, 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (E)-2-butenedioate (1:1)
• 1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)
• Gr 89696
• Methyl 4-[(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate (2E)-but-2-enedioate (1:1)
• 4-([3,4-DICHLOROPHENYL]ACETYL)-3-(1-PYRROLIDINYLMETHYL)-1-PIPERAZINECARBOXYLIC ACID METHYL ESTER FUMARATE
• GR 89696 fumarate salt solid
• 4-((3,4-Dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylicacidmethylesterfumarate
• Methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate fumarate
• GR 89696 FUMARATE

1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)

CAS: 126766-32-3

Formula: C₂₃H₂₉Cl₂N₃O₇

Purity: 98%

Color and Shape: Solid

Molecular weight: 530.3983

Ref: IN-DA000T7X

Methyl 4-(2-(3,4-Dichlorophenyl)Acetyl)-3-(Pyrrolidin-1-Ylmethyl)Piperazine-1-Carboxylate Fumarate

CAS: 126766-32-3

Methyl 4-(2-(3,4-Dichlorophenyl)Acetyl)-3-(Pyrrolidin-1-Ylmethyl)Piperazine-1-Carboxylate Fumarate

Purity: 98%

Molecular weight: 530.4g/mol

Ref: 54-OR1023356

GR 89696 fumarate

CAS: 126766-32-3

GR 89696 fumarate

Purity: ≥98%

Molecular weight: 530.4g/mol

Ref: 54-BUP10447

GR 89696 fumarate salt

CAS: 126766-32-3

Formula: C₁₉H₂₅Cl₂N₃O₃·C₄H₄O₄

Molecular weight: 530.40

Ref: 7W-GK9421

GR 89696

Controlled Product

CAS: 126766-32-3

Formula: C₁₉H₂₅Cl₂N₃O₃·C₄H₄O₄

Color and Shape: Neat

Molecular weight: 530.398

Ref: TR-G779535

GR 89696 fumarate salt

CAS: 126766-32-3

GR 89696 is a kappa-opioid receptor agonist that is a racemic mixture of the two enantiomers, S and R. It has high affinity for the human kappa-opioid receptor, with values of 500 nM and 100 nM for the S and R enantiomers, respectively. GR 89696 has been shown to produce antinociception in experimental animals. This effect was blocked by pretreatment with the δ-opioid antagonist naltrindole, but not by pretreatment with the κ-opioid antagonist norbinaltorphimine or the κ/δ-opioid antagonist pentazocine. The drug also inhibits rotarod performance in mice at low doses, which may be due to its sedative effect.
GR 89696 has been shown to inhibit bone cancer cell growth in vitro and in vivo without inducing significant toxicity in healthy cells. The drug also showed efficacy against

Formula: C₁₉H₂₅Cl₂N₃O₃·C₄H₄O₄

Purity: Min. 95%

Molecular weight: 530.4 g/mol

Ref: 3D-BFA76632

GR 89696 fumarate

CAS: 126766-32-3

GR 89696 fumarate is a highly selective κ2 opioid receptor agonist (IC50 = 0.04nM) with anti-pruritchy, anti-injury and neuroprotective effects.

Formula: C₂₃H₂₉Cl₂N₃O₇

Purity: 99.84%

Color and Shape: Solid

Molecular weight: 530.4

Ref: TM-T22810