SM-6586

SM 6586

HCID 128443

基本情報

CAS: 103898-38-0
標準SMILES: COC(=O)C1=C(C)NC(C)=C(c2nc(CN(C)Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1
InChIKey: HHVCXSOKQHQGFB-UHFFFAOYSA-N
分子式: C26H27N5O5
平均分子量: 489.5 g/mol
単同位体質量: 489.20121898

概要

structure given in first source; inhibits calcium-induced heart contraction; reduces blood pressure in SHR rats; prevents the development of stroke in SHRSP rats

名称と識別子

優先名称: SM 6586
IUPAC: methyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
現地名: SM-6586
英語名: SM 6586
分子式: C26H27N5O5
分子量: 489.52

名称と別名

SM-6586103898-38-0SM 65863-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(3-((methyl(phenylmethyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-4-(3-nitrophenyl)-, methyl esterRefChem:183383Methyl 1,4-dihydro-2,6-dimethyl-3-(3-N-benzyl-N-methylaminomethyl-1,2,4-oxadiazolyl-5-yl)-4-(3-nitrophenyl)pyridine-5-carboxylatemethyl 5-(3-((benzyl(methyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateMethyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl ester;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl esterorb1706622SCHEMBL7308471SCHEMBL30358017

名称をさらに表示

1,4-ジヒドロ-2,6-ジメチル-3-[3-(ベンジルメチルアミノメチル)-1,2,4-オキサジアゾール-5-イル]-4-(3-ニトロフェニル)ピリジン-5-カルボン酸メチルメチル 5-(3-{[ベンジル(メチル)アミノ]メチル}-1,2,4-オキサジアゾール-5-イル)-2,6-ジメチル-4-(3-ニトロフェニル)-1,4-ジヒドロピリジン-3-カルボキシラートSM6586,SM 65863-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl ester

HHVCXSOKQHQGFB-UHFFFAOYSA-NDEA89838AKOS040742636CS-6798DA-77890HY-19062T168973-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(3-((methyl(phenylemthyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-4-(3-nitrophenyl)-, methyl ester

データベース識別子

CAS: 103898-38-0
PubChem CID: 128443
Nikkaji: J463.664C

物性

構造計算による物性

XLogP: 3.6
極性表面積: 126 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 8
重原子数: 36
形式電荷: 0
複雑度: 878

物理化学的性質

融点: 127 · 127-128 °C
沸点: 624 · 624.0±65.0 °C(Predicted)
比重(密度): 1.27 · 1.270±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: Soluble in DMSO
酸解離定数(Pka): 5.1 · 5.10±0.50(Predicted)

化学と産業

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北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]

MedChemexpress LLC021-58955995 · [email protected]

天津普西唐生物医药科技有限公司010-60605840 · [email protected]

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

上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

化合物ノート

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