CAS No.37231-28-0,Melittin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	37231-28-0
Name:	Melittin

Formula:	C₁₃₁H₂₂₉N₃₉O₃₁
Molecular Weight:	2846.46
Synonyms:	Glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-L-threonyl-L-threonylglycyl-L-leucyl-L-prolyl-L-alanyl-L-leucyl-L-isoleucyl-L-seryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-L-glutaminyl-L-glutamamide;
EINECS:	253-417-7
Flash Point:	112 °C
Appearance:	solid
Hazard Symbols:	T,Xn
Risk Codes:	23/24/25-21/22
Safety:	36
Transport Information:	UN 3462 6.1/PG 1
PSA:	0.00000
LogP:	0.00000

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Specification

The Melittin, with the CAS registry number 11030-50-5, is also known as Glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-L-threonyl-L-threonylglycyl-L-leucyl-L-prolyl-L-alanyl-L-leucyl-L-isoleucyl-L-seryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-L-glutaminyl-L-glutamamide. It belongs to the product categories of Protein Sequencing; Protein Structural Analysis; Standards for Protein Sequencing; Chelators; Enzyme Inhibitors; Enzyme Inhibitors by Type; Calcium Antagonists Enzyme Inhibitors by Enzyme; Protein Kinase CEnzymes, Inhibitors, and Substrates; Cell Signaling and Neuroscience; Intracellular Calcium Signaling; P to; Protein Kinase Inhibitors and Related Products; Protein Kinases and Phosphatases. Its EINECS registry number is 253-417-7. This chemical's molecular formula is C₁₃₁H₂₂₉N₃₉O₃₁ and molecular weight is 2846.46. What's more, its systematic name is called L-Glutamamide, glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-L-threonyl-L-threonylglycyl-L-leucyl-L-prolyl-L-alanyl-L-leucyl-L-isoleucyl-L-seryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-L-glutaminyl-. It should be stored in a sealed place at 2-10 °C. Melittin is the principal active component of apitoxin (bee venom) and is a powerful stimulator of phospholipase A2. It is a peptide consisting of 26 amino acids with the sequence GIGAVLKVLTTGLPALISWIKRKRQQ.

Computed properties about Melittin are: (1)XLogP3-AA: -2.7; (2)H-Bond Donor: 41; (3)H-Bond Acceptor: 37; (4)Rotatable Bond Count: 99; (5)Tautomer Count: 1000; (6)Exact Mass: 2845.757527; (7)MonoIsotopic Mass: 2844.754172; (8)Topological Polar Surface Area: 1150; (9)Heavy Atom Count: 201; (10)Formal Charge: 0; (11)Complexity: 6300; (12)Isotope Atom Count: 0; (13)Defined Atom Stereocenter Count: 0; (14)Undefined Atom Stereocenter Count: 28; (15)Defined Bond Stereocenter Count: 0; (16)Undefined Bond Stereocenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It is harmful in contact with skin and if swallowed. This chemical is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)CN
(2) InChI: InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)/t71-,72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,100-,101-,102-,103-,104-,105-,106-/m0/s1
(3) InChIKey: VDXZNPDIRNWWCW-JFTDCZMZSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	intraarterial	400ug/kg (.4mg/kg)		Toxicon. Vol. 13, Pg. 277, 1975.
cat	LDLo	intravenous	6mg/kg (6mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION	Toxicon. Vol. 13, Pg. 277, 1975.
mouse	LD50	intracrebral	860ug/kg (.86mg/kg)		Toxicon. Vol. 22, Pg. 308, 1984.
mouse	LD50	intraperitoneal	5mg/kg (5mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1921, 1972.
mouse	LD50	intravenous	3500ug/kg (3.5mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: EXCITEMENT	"Venomous Animals and Their Venoms," Buecherl, W., and E.E. Buckley, eds., 3 vols., New York, Academic Press, Inc., 1968-71Vol. 3, Pg. 61, 1971.
mouse	LD50	parenteral	2500ug/kg (2.5mg/kg)		Toxicon. Vol. 12, Pg. 139, 1974.