Name: MASTOPARAN
SKU: 72093-21-1

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Basic Information

Molecular Structure:
CAS No.:	72093-21-1
Name:	MASTOPARAN
Article Data:	2

Formula:	C₇₀H₁₃₁N₁₉O₁₅
Molecular Weight:	1478.93
Synonyms:	18: PN:WO0181408 SEQID: 37 claimed protein;L-Leucinamide, L-isoleucyl-L-asparaginyl-L-leucyl-L-lysyl-L-alanyl-L-leucyl-L-alanyl-L-alanyl-L-leucyl-L-alanyl-L-lysyl-L-lysyl-L-isoleucyl-;Mastoparan;Mastoparan 1;NSC 351907;N-[1-[[5-amino-1-[[2-[[1-[[2-[[2-[[1-[[2-[[5-amino-1-[[5-amino-1-[[1-[(1-carbamoyl-3-methyl-butyl)carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]-2-[(2-amino-3-methyl-pentanoyl)amino]butanediamide;Mastoparan;
Density:	1.15 g/cm³
Boiling Point:	1676.8 °C at 760 mmHg
Flash Point:	967.9 °C
Solubility:	1 mg/mL, clear, colorless in water
Safety:	22-24/25
PSA:	568.56000
LogP:	7.00350

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Specification

The Mast cell degranulatingpeptide (Vespula lewisii), with the CAS registry number 72093-21-1, belongs to the following product categories: Peptide; Phospholipase ActivatorsCell Signaling and Neuroscience; Phospholipid Metabolism; Lipids in Cell Signaling; Toxins and Venoms; Wasp; G-Protein. It may causes degranulation of mast cells and it also isolated from venom of wasp. And the molecular formula of the chemical is C₇₀H₁₃₁N₁₉O₁₅. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Mast cell degranulatingpeptide (Vespula lewisii) are as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.6; (4)ACD/LogD (pH 7.4): -4.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 34; (10)#H bond donors: 25; (11)#Freely Rotating Bonds: 57; (12)Polar Surface Area: 317.61 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 393.91 cm³; (15)Molar Volume: 1285 cm³; (16)Polarizability: 156.15 ×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 967.9 °C; (20)Enthalpy of Vaporization: 267.5 kJ/mol; (21)Boiling Point: 1676.8 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC(C(=O)N)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)CC)CC(=O)N)CC(C)C)CCCCN)C)CC(C)C)C)C)CC(C)C)C)CCCCN)CCCCN)C(C)CC
(2)InChI: InChI=1/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-52(34-39(9)10)67(101)83-46(25-19-22-28-71)62(96)78-45(16)61(95)86-50(32-37(5)6)65(99)79-42(13)58(92)77-43(14)60(94)85-51(33-38(7)8)66(100)80-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)89-56(41(12)18-2)70(104)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,97)(H,83,101)(H,84,104)(H,85,94)(H,86,95)(H,87,102)(H,88,103)(H,89,98)
(3)InChIKey: MASXKPLGZRMBJF-UHFFFAOYAH