462101
(S)-(-)-2-溴-3-甲基丁酸
96%
别名:
(S)-2-溴异戊酸
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关于此项目
线性分子式:
(CH3)2CHCH(Br)CO2H
化学文摘社编号:
分子量:
181.03
UNSPSC Code:
12352101
PubChem Substance ID:
MDL number:
Assay:
96%
Form:
solid
InChI
1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1
SMILES string
CC(C)[C@H](Br)C(O)=O
InChI key
UEBARDWJXBGYEJ-BYPYZUCNSA-N
assay
96%
form
solid
optical activity
[α]22/D −21°, c = 37 in benzene
bp
90-100 °C/0.5 mmHg (lit.)
mp
39-44 °C (lit.)
functional group
bromo, carboxylic acid
Application
铁电液晶衍生物、脯氨酸-缬氨酸假二肽（α-胰凝乳蛋白酶的强效抑制剂）和 β-转角模拟肽都可用这种溴代酸制备。
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
存储类别
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Reed, P.E. Katzenellenbogen, J.A.
The Journal of Organic Chemistry, 56, 2624-2624 (1991)
Virgilio, A.A. et al.
Tetrahedron Letters, 37, 6961-6961 (1996)
Sierra, T. et al.
Journal of the American Chemical Society, 114, 7645-7645 (1992)
J M Te Koppele et al.
The Biochemical journal, 252(1), 137-142 (1988-05-15)
The stereoselectivity of purified rat GSH transferases towards alpha-bromoisovaleric acid (BI) and its amide derivative alpha-bromoisovalerylurea (BIU) was investigated. GSH transferase 2-2 was the only enzyme to catalyse the conjugation of BI and was selective for the (S)-enantiomer. The conjugation
M Polhuijs et al.
Biochemical pharmacology, 44(7), 1249-1253 (1992-10-06)
Glutathione (GSH) conjugation of the separate enantiomers of five 2-bromocarboxylic acids and some of their urea derivatives by rat liver GSH transferases (GSTs) was studied. The liver cytosolic fraction conjugated all compounds, except for (R)-2-bromoisovaleric acid, with a variable degree
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