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 ID: 132837
• Molecular Formular: C35H47N7O10
• Molecular Mass: 725.78858
• Monoisotopic Mass: 725.33844074
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: 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
• Synonyms: Tryptase from human lung; Tryptase 来源于人类肺

Database IDs

• MDL Number: MFCD00272854
• PubChem SID: 162227114
• PubChem CID: 5311489
• Enzyme Commission Number: 3.4.21.59 ( BRENDA; IUBMB )

CALCULATED PROPERTIES

• Acid pKa: 11.442299
• H Acceptors: 9
• H Donor: 8
• LogD (pH = 5.5): -1.1180084
• LogD (pH = 7.4): -1.1110796
• Log P: 0.56147397
• Molar Refractivity: 188.3627 cm^3
• Polarizability: 67.606964 Å^3
• Polar Surface Area: 234.06 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: buffered aqueous solution

Safety Information

• German water hazard class: 1
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... TPSAB1(7177), TPSB2(64499), TPSD1(23430), TPSG1(25823)

Product Information

• Shipped in: dry ice

DETAILS

Sigma Aldrich - T7063

Frequently Asked Questions
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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)