N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide

HCID 44665680

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1355244-02-8
표준 SMILES: COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4c(C)ccnc43)CC2)cc1
InChIKey: PMTIWRPLQBVEMR-UHFFFAOYSA-N
분자식: C27H32N6O3
평균 분자량: 488.6 g/mol
단동위원소 질량: 488.2535889

개요

LSM-2536 is a member of piperazines.

이름 및 식별자

우선 이름: N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide
IUPAC: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(13-methyl-7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-yl)acetamide
영어명: BMS-466442
분자식: C27H32N6O3
분자량: 488.58

이름 및 동의어

1355244-02-8ML 190ML190N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamideN-[3-[4-(4-Methoxyphenyl)piperazin-1-yl]propyl]-2-(13-methyl-7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-yl)acetamideMLS003179295KUC104502NKSC-1-256KUC104502N-02PMTIWRPLQBVEMR-UHFFFAOYSA-N6ZXU9NPQ29orb1704361

이름 더 보기

BMS-466442N-[3-[4-(4-Methoxyphenyl)-1-piperazinyl]propyl]-1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazine-5(6H)-acetamidePyrido[2,3-e]pyrrolo[1,2-a]pyrazine-5(6H)-acetamide, N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-1-methyl-6-oxo-

CHEMBL1729417SCHEMBL14793354SCHEMBL30938554BDBM71610CHEBI:92431cid_44665680C27H32N6O3FEC24402

데이터베이스 식별자

CAS: 1355244-02-8
PubChem CID: 44665680
ChEMBL: CHEMBL1729417
ChEBI: CHEBI:92431
UNII: 6ZXU9NPQ29

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 82.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 36
형식 전하: 0
복잡도: 752

물리화학적 성질

끓는 점: 776.2 · 776.2±60.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 20 mM · Soluble to 20 mM in DMSO
물리적 상태: 가루
산도 계수 (pKa): 15.1 · 15.10±0.46(Predicted)
색상: White to off-white

화학 및 산업

응용 분야

용도ML 190 is a kappa (κ) opioid receptor antagonist with potential application with neurological disorders such as anxiety, depression or schizophrenia.

공급사10 곳

Aladdin Scientific[email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

苏州启航生物科技有限公司18151111370

上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

화합물 노트

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