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MFCD00272854 分子结构
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acetic acid tert-butyl N-[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(5-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamate

ChemBase编号:132837
分子式:C35H47N7O10
平均质量:725.78858
单一同位素质量:725.33844074
SMILES和InChIs

SMILES:
Cc1cc(cc2c1ccc(=O)o2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.CC(=O)O
Canonical SMILES:
CC(=O)O.OC[C@@H](C(=O)N[C@H](C(=O)Nc1cc(C)c2c(c1)oc(=O)cc2)CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C33H43N7O8.C2H4O2/c1-19-15-21(17-26-22(19)12-13-27(42)47-26)37-28(43)23(11-8-14-36-31(34)35)38-30(45)25(18-41)39-29(44)24(16-20-9-6-5-7-10-20)40-32(46)48-33(2,3)4;1-2(3)4/h5-7,9-10,12-13,15,17,23-25,41H,8,11,14,16,18H2,1-4H3,(H,37,43)(H,38,45)(H,39,44)(H,40,46)(H4,34,35,36);1H3,(H,3,4)/t23-,24-,25-;/m0./s1
InChIKey:
WGWZNYKOUXOZTC-NAGNLMCHSA-N

引用这个纪录

CBID:132837 http://www.chembase.cn/molecule-132837.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
acetic acid tert-butyl N-[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(5-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamate
IUPAC传统名
acetic acid tert-butyl N-[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(5-methyl-2-oxochromen-7-yl)carbamoyl]butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamate
别名
Tryptase 来源于人类肺
Tryptase from human lung
MDL号
MFCD00272854
PubChem SID
162227114
PubChem CID
5311489
Enzyme Commission Number
3.4.21.59 ( BRENDA
IUBMB )

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 价格
Sigma Aldrich
T7063 external link 加入购物车 请登录
数据来源 数据ID
PubChem 5311489 external link

理论计算性质

理论计算性质

JChem
Acid pKa 11.442299  质子受体
质子供体 LogD (pH = 5.5) -1.1180084 
LogD (pH = 7.4) -1.1110796  Log P 0.56147397 
摩尔折射率 188.3627 cm3 极化性 67.606964 Å3
极化表面积 234.06 Å2 可自由旋转的化学键 16 
里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
外观
buffered aqueous solution expand 查看数据来源
德国WGK号
1 expand 查看数据来源
保存温度
-20°C expand 查看数据来源
相关基因信息
human ... TPSAB1(7177), TPSB2(64499), TPSD1(23430), TPSG1(25823) expand 查看数据来源
运输包装
dry ice expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  T7063 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Quality
Highly purified
Unit Definition
One unit will hydrolyze 1.0 μmole of N-benzoyl DL-arginine p-nitroanilide per minute at pH 7.8 at 37 °C.
Physical form
Solution in 1 M NaCl, 50 mM sodium acetate, pH 5.0, containing 0.01% sodium azide
Biochem/physiol Actions
Tryptase is a member of the serine protease S1 family. It is the predominant neutral protease of the mast cell granules. Within the mast cell granule it exists as a heparin-stabilized active tetramer. Stabilization is a result of the high negative charge density of the glycosaminoglycan. This stabilization activity is observed with heparins with a MW greater than 6 kDa as well as other glycosaminoglycans such as dextran sulfate or chondroitin sulfates. Removal of heparin results in dissociation of the tetramer and inactivation of the enzyme. High concentrations of NaCl will result in the dissociation of heparin. Tryptase is released from the mast cell as a result of the degranulation response during anaphylaxis. In addition, several tryptase genes and alleles (α, β, γ & δ) have been identified in various tissues and circulating in blood. Pro-β-tryptase is thought to be the constituative circulating form in blood. The biological function of tryptase is unknown. However it has been reported to catalyze the activation of complement C3, convert prostromelysin to stromelysin (MMP-3), and cleave fibrinogen resulting in a loss of clottting potential. Tryptase also degrades fibronectin, calcitonin gene-related peptide, vasoactive intestinal peptide,and kininogen.
General description
Tryptase is a glycoprotein released from mast cells during anaphylaxis, which performs a number of functions including catalyzing the activation of complement C3, converting prostromelysin to stromelysin (MMP-3), and cleaving fibrinogen resulting in a loss of clotting potential.
Physical properties
Molecular Weight: ~135 kDa (Human)(Non-covalently linked tetramer with two sets of dissimilar subunits possibly resulting from heterogeneity in N-linked glycosylation and existence of a & b isoforms sequences in human lung). 31-33 kDa (Monomer MW)

参考文献

参考文献

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专利

专利

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