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103476-89-7 分子结构
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bis((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]-2-acetamido-4-methylpentanamide); sulfuric acid

ChemBase编号:132914
分子式:C40H78N12O12S
平均质量:951.18552
单一同位素质量:950.558287
SMILES和InChIs

SMILES:
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)C.CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)C.OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CC(C)C)CCCNC(=N)N.O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CC(C)C)CCCNC(=N)N
InChI:
InChI=1S/2C20H38N6O4.H2O4S/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4)/t2*15-,16-,17-;/m00./s1
InChIKey:
CIPMKIHUGVGQTG-VFFZMTJFSA-N

引用这个纪录

CBID:132914 http://www.chembase.cn/molecule-132914.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
bis((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]-2-acetamido-4-methylpentanamide); sulfuric acid
IUPAC传统名
bis((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]-2-acetamido-4-methylpentanamide); sulfuric acid
别名
N-乙酰基-L-亮氨酰-L-亮氨酰-L-精氨醛 半硫酸盐
亮抑酶肽 半硫酸盐
N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt
Acetyl-Leu-Leu-Arg-al
Leupeptin hemisulfate salt
CAS号
103476-89-7
MDL号
MFCD00037012
PubChem SID
24882188
24896328
162227191
24896420
24896498
PubChem CID
2733491

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 2733491 external link

理论计算性质

理论计算性质

JChem
Acid pKa 12.4916725  质子受体
质子供体 LogD (pH = 5.5) -2.8089597 
LogD (pH = 7.4) -2.8059762  Log P -0.7743988 
摩尔折射率 124.3835 cm3 极化性 44.33278 Å3
极化表面积 166.27 Å2 可自由旋转的化学键 28 
里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
H2O: soluble10 mM (Solutions are stable for a week at 4 °C. Stock solutions are stable up to 6 months at -20 °C.) expand 查看数据来源
H2O: soluble50 mg/mL expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
纯度
≥85% (HPLC) expand 查看数据来源
≥90% (HPLC) expand 查看数据来源
≥98% (HPLC) expand 查看数据来源
生物来源
microbial expand 查看数据来源
synthetic expand 查看数据来源
产品质量级别
PREMIUM expand 查看数据来源
产品线
BioUltra expand 查看数据来源
线性分子式
C20H38N6O4 · 1/2H2SO4 expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  L8511 external link
Analysis Note
由于三种形式在溶液中达到平衡,亮抑酶肽可在 HPLC 上形成多个峰。通过三个主峰测定纯度。主要的杂质肽为外消旋亮抑酶肽。
Biochem/physiol Actions
Inhibitor of serine and cysteine proteases. Inhibits plasmin, trypsin, papain, calpain, and cathepsin B. Does not inhibit pepsin, cathepsins A and D, thrombin, or α-chymotrypsin. Effective concentration 10-100 μM. There have been numerous studies using leupeptin to protect against hearing loss caused by acoustic overstimulation or the ototoxic antibiotic gentamicin.1 (Loss of cochlear hair cells is believed to be mediated by calpain.)
Sigma Aldrich -  62070 external link
Analysis Note
由于三种形式在溶液中达到平衡,亮抑酶肽可在 HPLC 上形成多个峰。通过三个主峰测定纯度。主要的杂质肽为外消旋亮抑酶肽。
Other Notes
Inhibitor of trypsin, plasmin, papain and cathepsin B2,3,4
Unit Definition
1 U corresponds to the amount of inhibitor which reduces the trypsin activity by 1 BAEE-U. (1 BAEE-U is the amount of enzyme which increases the absorbance at 253 nm by 0.001 per minute at pH 7.6 and 25 °C; BAEE, Fluka No. 12880, as substrate)
Biochem/physiol Actions
Inhibitor of serine and cysteine proteases. Inhibits plasmin, trypsin, papain, calpain, and cathepsin B. Does not inhibit pepsin, cathepsins A and D, thrombin, or α-chymotrypsin. Effective concentration 10-100 μM. There have been numerous studies using leupeptin to protect against hearing loss caused by acoustic overstimulation or the ototoxic antibiotic gentamicin.1 (Loss of cochlear hair cells is believed to be mediated by calpain.)
Sigma Aldrich -  L2884 external link
Analysis Note
由于三种形式在溶液中达到平衡,亮抑酶肽可在 HPLC 上形成多个峰。通过三个主峰测定纯度。主要的杂质肽为外消旋亮抑酶肽。
Biochem/physiol Actions
Inhibitor of serine and cysteine proteases. Inhibits plasmin, trypsin, papain, calpain, and cathepsin B. Does not inhibit pepsin, cathepsins A and D, thrombin, or α-chymotrypsin. Effective concentration 10-100 μM. There have been numerous studies using leupeptin to protect against hearing loss caused by acoustic overstimulation or the ototoxic antibiotic gentamicin.1 (Loss of cochlear hair cells is believed to be mediated by calpain.)
Sigma Aldrich -  L5793 external link
Analysis Note
由于三种形式在溶液中达到平衡,亮抑酶肽可在 HPLC 上形成多个峰。通过三个主峰测定纯度。主要的杂质肽为外消旋亮抑酶肽。
Biochem/physiol Actions
Inhibitor of serine and cysteine proteases. Inhibits plasmin, trypsin, papain, calpain, and cathepsin B. Does not inhibit pepsin, cathepsins A and D, thrombin, or α-chymotrypsin. Effective concentration 10-100 μM. There have been numerous studies using leupeptin to protect against hearing loss caused by acoustic overstimulation or the ototoxic antibiotic gentamicin.1 (Loss of cochlear hair cells is believed to be mediated by calpain.)

参考文献

参考文献

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专利

专利

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