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(N-Me-Phe7)-Neurokinin B

* Please kindly note that our products are not to be used for therapeutic purposes and cannot be sold to patients.

The MePhe-analog of NKB shows high selectivity for NKB receptors.

Category

Others

Catalog number

BAT-015856

CAS number

110880-53-0

Molecular Formula

C60H81N13O14S2

Molecular Weight

1272.49

Specification

IUPAC Name

(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Synonyms

(MePhe7)neurokinin B; L-α-Aspartyl-L-methionyl-L-histidyl-L-α-aspartyl-L-phenylalanyl-L-phenylalanyl-N-methyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide

Appearance

White Powder

Purity

95%

Density

1.3±0.1 g/cm3

Boiling Point

1654.9±65.0 °C at 760 mmHg

Sequence

DMHDFFFGLM

InChI

InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

InChI Key

FWEMQPXASKKIMV-UILVTTEASA-N

Canonical SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)C(CC4=CN=CN4)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N