-
Name
MASTOPARAN
- EINECS
- CAS No. 72093-21-1
- Article Data2
- CAS DataBase
- Density 1.15 g/cm3
- Solubility 1 mg/mL, clear, colorless in water
- Melting Point
- Formula C70H131N19O15
- Boiling Point 1676.8 °C at 760 mmHg
- Molecular Weight 1478.93
- Flash Point 967.9 °C
- Transport Information
- Appearance
- Safety 22-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 568.56000
- LogP 7.00350
Mast cell degranulatingpeptide (Vespula lewisii) 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
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