CAS 204697-65-4: N-[2-[5-Amino-1(S)-[4-(4-pyridinyl)piperazin-1-ylcarbonyl]pentylamino]-1(R)-(3,5-dibromo-4-hydroxybenzyl)-2-oxoethyl]-4-(2-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)piperidine-1-carboxamide

Description: The chemical substance with the name "N-[2-[5-Amino-1(S)-[4-(4-pyridinyl)piperazin-1-ylcarbonyl]pentylamino]-1(R)-(3,5-dibromo-4-hydroxybenzyl)-2-oxoethyl]-4-(2-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)piperidine-1-carboxamide" and CAS number "204697-65-4" is a complex organic compound characterized by its multi-functional structure, which includes various pharmacophores. It features a piperidine core, which is common in many pharmaceutical agents, and incorporates multiple heterocycles, such as a tetrahydroquinazoline and a piperazine moiety, contributing to its potential biological activity. The presence of amino groups and carbonyl functionalities suggests that it may engage in hydrogen bonding, enhancing its solubility and reactivity. Additionally, the dibromo and hydroxy substituents indicate potential for interactions with biological targets, possibly influencing its pharmacokinetic properties. This compound is likely to be investigated for its therapeutic applications, particularly in areas related to neuropharmacology or oncology, given the structural motifs that are often associated with such fields. However, specific biological activity and safety profiles would require empirical studies to elucidate its potential uses.

Formula: C₃₈H₄₇Br₂N₉O₅

InChI: InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1

InChI key: InChIKey=ITIXDWVDFFXNEG-JHOUSYSJSA-N

SMILES: O=C(NC(C(=O)NC(C(=O)N1CCN(C=2C=CN=CC2)CC1)CCCCN)CC3=CC(Br)=C(O)C(Br)=C3)N4CCC(N5C(=O)NC=6C=CC=CC6C5)CC4

Synonyms:

• 1-Piperidinecarboxamide, N-[(1R)-2-[[(1S)-5-amino-1-[[4-(4-pyridinyl)-1-piperazinyl]carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxyphenyl)methyl]-2-oxoethyl]-4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-
• 1-Piperidinecarboxamide, N-[2-[[5-amino-1-[[4-(4-pyridinyl)-1-piperazinyl]carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxyphenyl)methyl]-2-oxoethyl]-4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-, [R-(R*,S*)]-
• 1-[3,5-Dibromo-N-[[4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl]-<span class="text-smallcaps">D</smallcap>-tyrosyl-<smallcap>L</span>-lysyl]-4-(4-pyridinyl)piperazine
• Bibn-4096
• Bibn-4096Bs
• N-{5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}tyrosinamide
• Olcegepant
• Piperazine, 1-[3,5-dibromo-N-[[4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl]-<span class="text-smallcaps">D</smallcap>-tyrosyl-<smallcap>L</span>-lysyl]-4-(4-pyridinyl)-

Olcegepant

CAS: 204697-65-4

Olcegepant (BIBN-4096) is an effective and selective non-peptide calcitonin gene-related peptide 1 (CGRP1) receptor antagonist …

• Formula: C₃₈H₄₇Br₂N₉O₅
• Purity: 96.08%
• Color and Shape: Solid
• Molecular weight: 869.65

Olcegepant

CAS: 204697-65-4

• Formula: C₃₈H₄₇Br₂N₉O₅
• Color and Shape: Neat
• Molecular weight: 869.645

BIBN 4096

CAS: 204697-65-4

BIBN 4096 is a calcitonin gene-related peptide (CGRP) antagonist that blocks the receptor activity of …

• Formula: C₃₈H₄₇Br₂N₉O₅
• Purity: Min. 95%
• Molecular weight: 869.65 g/mol