HCID9892288

K-604

2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

C23H30N6OS3502.7 g/molCAS 561023-90-3

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IDENTITY

结构与身份

标准SMILES: CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
InChIKey: VGGMTOYKEDKFLN-UHFFFAOYSA-N
分子式: C23H30N6OS3
平均分子量: 502.7 g/mol
单同位素质量: 502.16432312

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 153 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 9
重原子: 33
形式电荷: 0
复杂度: 623

PHARMACOLOGY

药理信息

来源：PubChem

MeSH Pharmacological Classification

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.

ALIASES

名称与别名

共 25 条

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 9892288SCHEMBL960484CHEMBL3890942SCHEMBL29845569GTPL10150VGGMTOYKEDKFLN-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

REACTIONS

参与反应

6 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID1064862

uspto-grants-2005_11

作为反应物

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06969711B2

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HRID1064864

uspto-grants-2005_11

作为反应物

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06969711B2

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HRID1896049

uspto-grants-2013_08

作为反应物

uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08518936B2

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HRID1896050

uspto-grants-2013_08

作为反应物

uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08518936B2

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HRID2154738

Training data from https://doi.org/10.1039/C8SC04228D (4/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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HRID2354010

uspto-grants-2010_07

作为反应物

uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07750150B2

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