Polymyxin E2 sulfate

CAT: 0013-GTR19219820-01Size: 500 µgDry Ice: NoHazardous: No

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CAT#:0013-GTR19219820-01Size:500 µg

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Description

Polymyxin E2 (Colistin A) is a cationic lipopeptide antibiotic derived from Bacillus polymyxa. It demonstrates potent in vitro activity against Xanthomonas oryzae (EC50 0.21 μg/ml) and has shown efficacy in vivo for managing rice bacterial leaf blight in greenhouse studies at 200 μg/ml.

CAS Number

1338055-88-1

Field of Research

Infectious Disease & Virology

Smiles

NCC[C@@H] (C (N[C@H]1CCNC ([C@@] ([C@H] (O) C) ([H]) NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@H] (NC ([C@@H] (NC1=O) CCN) =O) CC (C) C) =O) CC (C) C) =O) CCN) =O) CCN) =O) =O) =O) NC ([C@H] ([C@H] (O) C) NC ([C@@H] (NC (CCCCC (C) C) =O) CCN) =O) =O.O=S (O) (O) =O

Molecular Formula

C52H98N16O13.XH2SO4

Molecular Weight

1155.40

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

n2-(6-methyl-1-oxoheptyl)-l-2,4-diaminobutanoyl-l-threonyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-d-leucyl-l-leucyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-l-threonine (10?4)-lactam sulfate salt

CAS Number	1338055-88-1
PubChem CID	56642479
IUPAC Name	N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide;sulfuric acid
Molecular Formula	C52H100N16O17S
Molecular Weight	1253.5
Topological Polar Surface Area	574
Hydrogen Bond Donor Count	20
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	28
Heavy Atom Count	86
Formal Charge	0
Complexity	2130

SMILES

C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O.OS(=O)(=O)O

InChI

InChI=1S/C52H98N16O13.H2O4S/c1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75;1-5(2,3)4/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76);(H2,1,2,3,4)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+;/m1./s1

InChIKey

XYXFTCPJFHFTTO-KSPURPISSA-N

Chemical Structure

2D Structure

CAS: 1338055-88-1

CID: 56642479

Formula: C52H100N16O17S

MW: 1253.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1253.5
Hydrogen Bond Donor Count	20
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	28
Exact Mass	1252.71730696
Monoisotopic Mass	1252.71730696
Topological Polar Surface Area	574 Å²
Heavy Atom Count	86
Formal Charge	0
Complexity	2130
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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GTR19228575-01	Polymyxin B1
GTR19254551-01	Polymyxin M
GTR19255518-01	Polymyxin T1
GTR19244390-01	Polymyxin B
GTR18874341-01	Polymyxin B

Alternative Products

Catalog	Name
HY-A0248C	Polymyxin B2 (Sulfate)
HY-A0248-01	Polymyxin B (Sulfate)
41610036-1	Polymyxin B Sulfate
sc-476286D	Polymyxin B1 Sulfate
T83904-01	Polymyxin E2 sulfate
T83903-01	Polymyxin B2 sulfate
RM-P120206-01	Polymyxin B6 Sulfate
T83902-01	Polymyxin E1 sulfate

Polymyxin E2 sulfate

Chemical Information

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