N-[(R)-1-[4-(4-Methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-aminoacetamide
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기본 정보
- CAS
925238-89-7- 표준 SMILES
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1- InChIKey
OZSZELOMMMKWTM-HHHXNRCGSA-N- 분자식
- C30H32N6O2
- 평균 분자량
- 508.626 g/mol
- 단동위원소 질량
- 508.25867426
이름 및 식별자
- 우선 이름
- N-[(R)-1-[4-(4-Methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-aminoacetamide
- 영어명
- (R)-N-(2-(1H-indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl)-2-aminoacetamide hydrochloride
- 분자식
- C30H32N6O2
- 분자량
- 508.62
이름 및 동의어
JMV 2959AEZS-123)JMV 2959 (JMV2959(R)-N-(2-(1H-indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl)-2-aminoacetamide hydrochloride2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}ethyl]acetamideAcetamide, 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]-
데이터베이스 식별자
- CAS
925238-89-7- PubChem CID
- 16114404
- DTXSID
DTXSID101356748- ChEMBL
CHEMBL400814- Nikkaji
- J2.743.051A
물성
물리화학적 성질
- 밀도
- 1.267 · 1.267±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 25 · DMSO:25.0(Max Conc. mg/mL);49.15(Max Conc. mM)
- 산도 계수 (pKa)
- 13.611 · 13.611±0.46(predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChIKey
- OZSZELOMMMKWTM-HHHXNRCGSA-N
- SMILES
- C(N[C@@H](C1N(CC2=CC=C(OC)C=C2)C(CCC2=CC=CC=C2)=NN=1)CC1C2=C(NC=1)C=CC=C2)(=O)CN
화학 및 산업
응용 분야
용도JMV 2959 is a ghrelin antagonist affecting the hunger state and release of growth hormone. It indirectly may influence behaviours associated with addictive alcohol and drug disorders as well as schizophrenia.
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