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Merck
CN

409731

甲基(S)-(-)-2-异氰酰基-3-苯基丙酸酯

99%

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关于此项目

线性分子式:
C6H5CH2CH(NCO)CO2CH3
化学文摘社编号:
分子量:
205.21
UNSPSC Code:
12352108
PubChem Substance ID:
MDL number:
Assay:
99%
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assay

99%

optical activity

[α]20/D −80.0°, neat

refractive index

n20/D 1.513 (lit.)

bp

244 °C (lit.)

density

1.13 g/mL at 25 °C (lit.)

SMILES string

COC(=O)[C@H](Cc1ccccc1)N=C=O

InChI

1S/C11H11NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m0/s1

InChI key

JOTMMIYKEOOTNZ-JTQLQIEISA-N

Application

该化合物已被用于制备血管紧张素原的二肽类似物以及抑制嗜热菌蛋白酶的席夫碱衍生物


signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

存储类别

3 - Flammable liquids

wgk

WGK 3

flash_point_f

116.1 °F - closed cup

flash_point_c

46.7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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分析证书(COA)

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Bates, S.R.E. et al.
J. Chem. Res. Synop., 48-48 (1993)
J J Plattner et al.
Journal of medicinal chemistry, 31(12), 2277-2288 (1988-12-01)
A series of renin inhibitors have been prepared and evaluated for their susceptibility to cleavage by the serine protease chymotrypsin. The compounds were designed by consideration of the structural requirements in the active-site region of renin and chymotrypsin. By systematic