K-604

HCID 9892288

노트 반응

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 561023-90-3
표준 SMILES: CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
InChIKey: VGGMTOYKEDKFLN-UHFFFAOYSA-N
분자식: C23H30N6OS3
평균 분자량: 502.7 g/mol
단동위원소 질량: 502.16432312

이름 및 식별자

우선 이름: K-604
IUPAC: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

이름 및 동의어

K-6042-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide2-(4-(2-(1H-benzimidazol-2-ylsulfanyl)ethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl)acetamideK604 compoundRefChem:924028561023-90-32-(4-(2-((1H-Benzo[d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamideCID 9892288SCHEMBL960484CHEMBL3890942SCHEMBL29845569GTPL10150

이름 더 보기

VGGMTOYKEDKFLN-UHFFFAOYSA-NBDBM182847DTXSID401111183GLXC-03575AKOS016364426compound 2 [PMID: 30433781]US9149492, K-6042-[4-[2-(benzimidazol-2-ylthio)ethyl] piperazin-1-yl]-N-[2,4-bis(methylthio)-6-methyl-3pyridyl]acetamide

데이터베이스 식별자

CAS: 561023-90-3
PubChem CID: 9892288
DTXSID: DTXSID401111183
ChEMBL: CHEMBL3890942
EC Number: 611-358-8
Nikkaji: J2.296.050D

물성

구조 계산 물성보충 중

XLogP: 3.8
극성 표면적: 153 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 33
형식 전하: 0
복잡도: 623

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Compounds that interfere with FATTY ACID SYNTHASE resulting in a reduction of FATTY ACIDS. This is a target mechanism in humans of some ANTINEOPLASTIC AGENTS and ANTI-OBESITY AGENTS and of some ANTI-INFECTIVE AGENTS which interfere with CELL WALL and CELL MEMBRANE formation.