l-methionine 7-amido-4-methylcoumarin trifluoroacetate salt

HCID 2733804CAS 94367-35-8

基本情報

標準SMILES: CSCC[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1.O=C(O)C(F)(F)F
InChIKey: VSAUWUJWXBUSEU-YDALLXLXSA-N
分子式: C17H19F3N2O5S
平均分子量: 420.4 g/mol
単同位体質量: 420.09667737

名称と識別子

優先名称: l-methionine 7-amido-4-methylcoumarin trifluoroacetate salt
IUPAC: (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-methylsulfanylbutanamide;2,2,2-trifluoroacetic acid
英語名: L-Methionine 4-methyl-7-coumarinylamide trifluoroacetate
分子式: C15H18N2O3S.C2HF3O2
分子量: 420.41

名称と別名

L-Methionine 7-amido-4-methylcoumarin trifluoroacetate saltRefChem:797227621-053-194367-35-8(S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)-4-(methylthio)butanamide 2,2,2-trifluoroacetateMFCD00210065L-Methionine 7-amido-4-methylcoumarin trifluoroacetateH-Met-AMC(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-methylsulfanylbutanamide;2,2,2-trifluoroacetic acidC17H19F3N2O5SL-Methionine 7-amido-4-methylcoumarin, trifluoroacetate saltorb2940805

名称をさらに表示

H-MET-AMC TFAH-L-Met-AMC*TFAL-Methionine 7-H-Met-AMC, Calpain substrateL-Methionin-7-amido-4-methylcumarinL-Methionin-7-Amido-4-MethylcoumarinL-Methionine7-amido-4-methylcoumarintrifluoroaceL-METHIONINE 4-METHYLUMBELLIFERYLAMIDE TRIFLUOROACETATEL-Methionine 4-methyl-7-coumarinylamide trifluoroacetate

SCHEMBL29804491DTXSID70370005TXB-00337AKOS022186095N-(4-Methyl-2-oxo-2H-chromen-7-yl)-L-methioninamide trifluoroacetate (1:1)CS-W021020FM99660ST057512

データベース識別子

CAS: 94367-35-8
PubChem CID: 2733804
DTXSID: DTXSID70370005
EC Number: 621-053-1

物性

構造計算による物性

極性表面積: 144 Å²
水素結合供与体数: 3
水素結合受容体数: 10
回転可能結合数: 5
重原子数: 28
形式電荷: 0
複雑度: 522

物理化学的性質

貯蔵温度: 2 · 2-8°C
外見: 白色からオフホワイトの粉末
色: White to off-white
InChI: 1S/C15H18N2O3S.C2HF3O2/c1-9-7-14(18)20-13-8-10(3-4-11(9)13)17-15(19)12(16)5-6-21-2;3-2(4,5)1(6)7/h3-4,7-8,12H,5-6,16H2,1-2H3,(H,17,19);(H,6,7)/t12-;/m0./s1
InChIKey: VSAUWUJWXBUSEU-YDALLXLXSA-N
SMILES: OC(=O)C(F)(F)F.CSCC[C@H](N)C(=O)Nc1ccc2C(C)=CC(=O)Oc2c1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 10
wgk: 3
hs_code: 2932209090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Substrate for calpain.

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